8-(1-phenylpropyl)pentadecan-8-ol

C24H42O — CID 134906373

IUPAC8-(1-phenylpropyl)pentadecan-8-ol
SMILESCCCCCCCC(O)(CCCCCCC)C(CC)c1ccccc1
InChIInChI=1S/C24H42O/c1-4-7-9-11-16-20-24(25,21-17-12-10-8-5-2)23(6-3)22-18-14-13-15-19-22/h13-15,18-19,23,25H,4-12,16-17,20-21H2,1-3H3
InChIKeyMLCGFSFLFCZOIU-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.63
Rot. Bonds15

About 8-(1-phenylpropyl)pentadecan-8-ol

8-(1-phenylpropyl)pentadecan-8-ol (PubChem CID 134906373) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 8-(1-phenylpropyl)pentadecan-8-ol.

Molecular Properties

Compound Name8-(1-phenylpropyl)pentadecan-8-ol
PubChem CID134906373
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name8-(1-phenylpropyl)pentadecan-8-ol
SMILESCCCCCCCC(O)(CCCCCCC)C(CC)c1ccccc1
InChIInChI=1S/C24H42O/c1-4-7-9-11-16-20-24(25,21-17-12-10-8-5-2)23(6-3)22-18-14-13-15-19-22/h13-15,18-19,23,25H,4-12,16-17,20-21H2,1-3H3
InChIKeyMLCGFSFLFCZOIU-UHFFFAOYSA-N
XLogP7.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.63
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-benzylpentadecan-8-ol
CID 13016086
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
1,2,3-triphenylnonadecane-1,2,3-triol
CID 174525521
2,2-dichloroundecan-3-ylbenzene
CID 151571814
(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
5-phenyl-4-propylpentadecan-4-amine;hydrochloride
CID 173426858
(1R)-1-phenyloctan-1-ol
CID 12794259
4-(3,3-dimethyl-2-phenyloctyl)aniline
CID 67687244
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
2-butyl-2-methyl-N-[methylsulfanyl(phenyl)methyl]nonanamide
CID 155242545

Frequently Asked Questions

What is the IUPAC name of 8-(1-phenylpropyl)pentadecan-8-ol?
The IUPAC name of 8-(1-phenylpropyl)pentadecan-8-ol (CID 134906373) is 8-(1-phenylpropyl)pentadecan-8-ol.
What is the SMILES notation for 8-(1-phenylpropyl)pentadecan-8-ol?
The canonical SMILES for 8-(1-phenylpropyl)pentadecan-8-ol is CCCCCCCC(O)(CCCCCCC)C(CC)c1ccccc1.
What is the InChIKey of 8-(1-phenylpropyl)pentadecan-8-ol?
The InChIKey is MLCGFSFLFCZOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-4-7-9-11-16-20-24(25,21-17-12-10-8-5-2)23(6-3)22-18-14-13-15-19-22/h13-15,18-19,23,25H,4-12,16-17,20-21H2,1-3H3.
What are the key properties of 8-(1-phenylpropyl)pentadecan-8-ol?
8-(1-phenylpropyl)pentadecan-8-ol has a molecular weight of 346.60 g/mol, XLogP of 7.63, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenylpropyl)pentadecan-8-ol is sourced from PubChem (CID 134906373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).