1-Phenyl-2-propyn-1-one

• CAS: 3623-15-2
• Catalog Number: ACM3623152
• Category: Alkynes
• Molecular Weight: 130.14
• Molecular Formula: C9H6O
• Hazard Statements: H225
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C9H6O.

What is the molecular weight of the compound?

The molecular weight of the compound is 130.14 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-phenylprop-2-yn-1-one.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H6O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7H.

What is the InChIKey of the compound?

The InChIKey of the compound is JITPLZPWKYUTDM-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number of the compound is 3623-15-2.

What is the ChEMBL ID of the compound?

The ChEMBL ID of the compound is CHEMBL4541377.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 2.1.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.

Synthetic Use

Upstream Synthesis Route 1

• 10147-11-2

• 3623-15-2

Reference: [1]Ning, Yangbo; Tan, Jiantao; Wang, Zhifan; Wang, Yuanhua
[Journal of Organometallic Chemistry, 2021, vol. 954-955]
[2]Black, Clayton C.; Gorden, Anne E.V.
[Tetrahedron Letters, 2018, vol. 59, # 9, p. 803 - 806]
[3]Iwai; Okajima
[Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 1252,1254][Chem.Abstr., 1959, p. 5191]
[4]Iwai; Okajima
[Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 1252,1254][Chem.Abstr., 1959, p. 5191]

Downstream Synthesis Route 1

• 110-89-4
• 3623-15-2

• 3506-37-4

Reference: [1]Wang, Fei; Sun, Wangbing; Wang, Yixin; Jiang, Yaojia; Loh, Teck-Peng
[Organic Letters, 2018, vol. 20, # 4, p. 1256 - 1260]
Liang, Gaohui; Rong, Jiaxin; Sun, Wangbin; Chen, Gengjia; Jiang, Yaojia; Loh, Teck-Peng
[Organic Letters, 2018]
Liang, Gaohui; Rong, Jiaxin; Sun, Wangbin; Chen, Gengjia; Jiang, Yaojia; Loh, Teck-Peng
[Organic Letters, 2018, vol. 20, # 22, p. 7326 - 7331]
[2]Liang, Xiaoyu; Guo, Pan; Yang, Wenjie; Li, Meng; Jiang, Chengzhou; Sun, Wangbin; Loh, Teck-Peng; Jiang, Yaojia
[Chemical Communications, 2020, vol. 56, # 13, p. 2043 - 2046]
[3]Wang, Fei; Fu, Rui; Chen, Jie; Rong, Jiaxin; Wang, Enfu; Zhang, Jian; Zhang, Zhengyu; Jiang, Yaojia
[Chemical Communications, 2022, vol. 58, # 21, p. 3477 - 3480]
[4]Hirao
[Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1954, vol. 57, p. 62][Chem.Abstr., 1955, p. 3185]
[5]Kong, Lingkai; Shao, Yushang; Li, Yanli; Liu, Yuanyuan; Li, Yanzhong
[Journal of Organic Chemistry, 2015, vol. 80, # 24, p. 12641 - 12645]

* For details of the synthesis route, please refer to the original source to ensure accuracy.