3-benzylheptadecan-1-ol

C24H42O — CID 70425860

IUPAC3-benzylheptadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CCO)Cc1ccccc1
InChIInChI=1S/C24H42O/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-24(20-21-25)22-23-17-15-13-16-18-23/h13,15-18,24-25H,2-12,14,19-22H2,1H3
InChIKeyZKGCQQKAZAWWAQ-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.32
Rot. Bonds17

About 3-benzylheptadecan-1-ol

3-benzylheptadecan-1-ol (PubChem CID 70425860) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 3-benzylheptadecan-1-ol.

Molecular Properties

Compound Name3-benzylheptadecan-1-ol
PubChem CID70425860
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name3-benzylheptadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CCO)Cc1ccccc1
InChIInChI=1S/C24H42O/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-24(20-21-25)22-23-17-15-13-16-18-23/h13,15-18,24-25H,2-12,14,19-22H2,1H3
InChIKeyZKGCQQKAZAWWAQ-UHFFFAOYSA-N
XLogP7.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-benzylheptadecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzylpentadecan-1-ol
CID 174933241
(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-benzylheptadecan-1-ol?
The IUPAC name of 3-benzylheptadecan-1-ol (CID 70425860) is 3-benzylheptadecan-1-ol.
What is the SMILES notation for 3-benzylheptadecan-1-ol?
The canonical SMILES for 3-benzylheptadecan-1-ol is CCCCCCCCCCCCCCC(CCO)Cc1ccccc1.
What is the InChIKey of 3-benzylheptadecan-1-ol?
The InChIKey is ZKGCQQKAZAWWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-24(20-21-25)22-23-17-15-13-16-18-23/h13,15-18,24-25H,2-12,14,19-22H2,1H3.
What are the key properties of 3-benzylheptadecan-1-ol?
3-benzylheptadecan-1-ol has a molecular weight of 346.60 g/mol, XLogP of 7.32, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylheptadecan-1-ol is sourced from PubChem (CID 70425860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).