4,4-(1,3-Adamantanediyl)diphenol

• Catalog Number: ACM37677933
• Product Name: 4,4-(1,3-Adamantanediyl)diphenol
• CAS: 37677-93-3
• Category: Micro/NanoElectronics
• Synonyms: 4,4-(1,3-ADAMANTANEDIYL)DIPHENOL;4,4-(1,3-AdaMantanediyl)bisphenol;1,3-Bis(4-Hydroxyphenyl)AdaMantane;1,3-Bis(p-hydroxyphenyl)adamantane;Adamantate
• IUPAC Name: 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol
• Molecular Weight: 320.4g/mol
• Molecular Formula: C22H24O2
• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O
• InChI: InChI=1S/C22H24O2/c23-19-5-1-17(2-6-19)21-10-15-9-16(11-21)13-22(12-15,14-21)18-3-7-20(24)8-4-18/h1-8,15-16,23-24H,9-14H2
• InChI Key: DNLWYVQYADCTEU-UHFFFAOYSA-N
• Complexity: 416
• Covalently-Bonded Unit Count: 1
• Exact Mass: 320.17763g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 24
• Monoisotopic Mass: 320.17763g/mol
• Rotatable Bond Count: 2
• XLogP3: 6.1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C22H24O2.

What is the molecular weight of the compound?

The molecular weight is 320.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-[3-(4-hydroxyphenyl)-1-adamantyl]phenol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H24O2/c23-19-5-1-17(2-6-19)21-10-15-9-16(11-21)13-22(12-15,14-21)18-3-7-20(24)8-4-18/h1-8,15-16,23-24H,9-14H2.

What is the InChIKey of the compound?

The InChIKey is DNLWYVQYADCTEU-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)O).

What is the CAS number of the compound?

The CAS number is 37677-93-3.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID40403455.

What is the Nikkaji Number of the compound?

The Nikkaji Number is J667.374K.

Is the compound canonicalized?

Yes, the compound is canonicalized.