3-benzylpentadecan-1-ol

C22H38O — CID 174933241

IUPAC3-benzylpentadecan-1-ol
SMILESCCCCCCCCCCCCC(CCO)Cc1ccccc1
InChIInChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-12-17-22(18-19-23)20-21-15-13-11-14-16-21/h11,13-16,22-23H,2-10,12,17-20H2,1H3
InChIKeyVDDUXIJTTXHENL-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.54
Rot. Bonds15

About 3-benzylpentadecan-1-ol

3-benzylpentadecan-1-ol (PubChem CID 174933241) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 3-benzylpentadecan-1-ol.

Molecular Properties

Compound Name3-benzylpentadecan-1-ol
PubChem CID174933241
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name3-benzylpentadecan-1-ol
SMILESCCCCCCCCCCCCC(CCO)Cc1ccccc1
InChIInChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-12-17-22(18-19-23)20-21-15-13-11-14-16-21/h11,13-16,22-23H,2-10,12,17-20H2,1H3
InChIKeyVDDUXIJTTXHENL-UHFFFAOYSA-N
XLogP6.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.54
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

3-benzylheptadecan-1-ol
CID 70425860
(3S)-3-benzylheptan-1-ol
CID 15214037
2-benzyloctadecan-1-ol
CID 67814123
2-benzyltetradecylbenzene
CID 22920205
6-benzyldecylbenzene
CID 54156815
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
4-benzyldodecanoic acid;N-methylmethanamine
CID 138628491
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
2-benzyl-N-methyldecan-1-amine
CID 63498488
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
(3S)-3-benzyl-1-phenylnonan-1-one
CID 101258041
2-benzyldodecanoic acid
CID 14250629

Frequently Asked Questions

What is the IUPAC name of 3-benzylpentadecan-1-ol?
The IUPAC name of 3-benzylpentadecan-1-ol (CID 174933241) is 3-benzylpentadecan-1-ol.
What is the SMILES notation for 3-benzylpentadecan-1-ol?
The canonical SMILES for 3-benzylpentadecan-1-ol is CCCCCCCCCCCCC(CCO)Cc1ccccc1.
What is the InChIKey of 3-benzylpentadecan-1-ol?
The InChIKey is VDDUXIJTTXHENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-12-17-22(18-19-23)20-21-15-13-11-14-16-21/h11,13-16,22-23H,2-10,12,17-20H2,1H3.
What are the key properties of 3-benzylpentadecan-1-ol?
3-benzylpentadecan-1-ol has a molecular weight of 318.55 g/mol, XLogP of 6.54, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpentadecan-1-ol is sourced from PubChem (CID 174933241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).