2,14-diphenylpentadecan-8-ol

C27H40O — CID 71175182

IUPAC2,14-diphenylpentadecan-8-ol
SMILESCC(CCCCCC(O)CCCCCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40O/c1-23(25-17-9-5-10-18-25)15-7-3-13-21-27(28)22-14-4-8-16-24(2)26-19-11-6-12-20-26/h5-6,9-12,17-20,23-24,27-28H,3-4,7-8,13-16,21-22H2,1-2H3
InChIKeyPHKGDXOLERIVKR-UHFFFAOYSA-N
MW380.62 g/mol
LogP7.86
Rot. Bonds14

About 2,14-diphenylpentadecan-8-ol

2,14-diphenylpentadecan-8-ol (PubChem CID 71175182) has the molecular formula C27H40O and a molecular weight of 380.62 g/mol. Its IUPAC name is 2,14-diphenylpentadecan-8-ol.

Molecular Properties

Compound Name2,14-diphenylpentadecan-8-ol
PubChem CID71175182
Molecular FormulaC27H40O
Molecular Weight380.62 g/mol
Exact Mass380.31
IUPAC Name2,14-diphenylpentadecan-8-ol
SMILESCC(CCCCCC(O)CCCCCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40O/c1-23(25-17-9-5-10-18-25)15-7-3-13-21-27(28)22-14-4-8-16-24(2)26-19-11-6-12-20-26/h5-6,9-12,17-20,23-24,27-28H,3-4,7-8,13-16,21-22H2,1-2H3
InChIKeyPHKGDXOLERIVKR-UHFFFAOYSA-N
XLogP7.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-2,14-diphenylpentadecane-2-sulfonic acid
CID 58097503
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
1-(2,4-difluorophenyl)-8-phenylnonan-3-ol
CID 58861727
sulfuric acid;tridecan-2-ylbenzene
CID 70428622
6-phenylhexan-2-ylbenzene
CID 19704587
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
barium(2+);bis(17-phenyloctadecanoate)
CID 101320102
5-chloropentan-2-ylbenzene
CID 524354
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
1,1-diphenyltetradecan-3-ol
CID 102298194

Frequently Asked Questions

What is the IUPAC name of 2,14-diphenylpentadecan-8-ol?
The IUPAC name of 2,14-diphenylpentadecan-8-ol (CID 71175182) is 2,14-diphenylpentadecan-8-ol.
What is the SMILES notation for 2,14-diphenylpentadecan-8-ol?
The canonical SMILES for 2,14-diphenylpentadecan-8-ol is CC(CCCCCC(O)CCCCCC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,14-diphenylpentadecan-8-ol?
The InChIKey is PHKGDXOLERIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O/c1-23(25-17-9-5-10-18-25)15-7-3-13-21-27(28)22-14-4-8-16-24(2)26-19-11-6-12-20-26/h5-6,9-12,17-20,23-24,27-28H,3-4,7-8,13-16,21-22H2,1-2H3.
What are the key properties of 2,14-diphenylpentadecan-8-ol?
2,14-diphenylpentadecan-8-ol has a molecular weight of 380.62 g/mol, XLogP of 7.86, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-diphenylpentadecan-8-ol is sourced from PubChem (CID 71175182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).