1-Phenyl-1-pentyn-3-ol

• CAS: 27975-78-6
• Catalog Number: ACM27975786
• Category: Alkynes
• Molecular Weight: 160.21
• Molecular Formula: C₁₁H₂₀O
• Synonyms: 1-Phenyl-1-pentyn-3-ol, 27975-78-6, 1-Pentyn-3-ol, 1-phenyl-, (S)-, ACMC-20mqra, SureCN2569114, 1-Pentyn-3-ol,1-phenyl-, 1-Phenyl-1-pentyn-3-ol;, AGN-PC-00G76A, 1-Pentyn-3-ol, 1-phenyl-, 669261_ALDRICH, CTK4G0573, 123762-09-4, SBB008984, AG-E-89427
• IUPAC Name: 1-phenylpent-1-yn-3-ol
• Canonical SMILES: CCC(C#CC1=CC=CC=C1)O
• InChI Key: QWCMSASONHVIHV-UHFFFAOYSA-N
• Boiling Point: 266.909ºC at 760 mmHg
• Flash Point: 110ºC
• Density: 1.336 g/mL at 25ºC
• Exact Mass: 160.08900
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: UN 2810 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the PubChem CID for 1-Phenyl-1-pentyn-3-ol?

PubChem CID: 11789508

What is the molecular formula for 1-Phenyl-1-pentyn-3-ol?

Molecular Formula: C11H12O

What is the molecular weight of 1-Phenyl-1-pentyn-3-ol?

Molecular Weight: 160.21 g/mol

What is the IUPAC name of 1-Phenyl-1-pentyn-3-ol?

IUPAC Name: 1-phenylpent-1-yn-3-ol

What is the InChI of 1-Phenyl-1-pentyn-3-ol?

InChI: InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3

What is the InChIKey of 1-Phenyl-1-pentyn-3-ol?

InChIKey: QWCMSASONHVIHV-UHFFFAOYSA-N

What is the canonical SMILES of 1-Phenyl-1-pentyn-3-ol?

Canonical SMILES: CCC(C#CC1=CC=CC=C1)O

What is the CAS number of 1-Phenyl-1-pentyn-3-ol?

CAS number: 27975-78-6

What is the XLogP3-AA value of 1-Phenyl-1-pentyn-3-ol?

XLogP3-AA value: 2.4

Is 1-Phenyl-1-pentyn-3-ol considered as a canonicalized compound?

Yes, 1-Phenyl-1-pentyn-3-ol is considered as a canonicalized compound.