2-benzyloctadecan-1-ol

C25H44O — CID 67814123

IUPAC2-benzyloctadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(CO)Cc1ccccc1
InChIInChI=1S/C25H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-25(23-26)22-24-19-17-15-18-20-24/h15,17-20,25-26H,2-14,16,21-23H2,1H3
InChIKeyUROIDFBYEIASDD-UHFFFAOYSA-N
MW360.63 g/mol
LogP7.71
Rot. Bonds18

About 2-benzyloctadecan-1-ol

2-benzyloctadecan-1-ol (PubChem CID 67814123) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-benzyloctadecan-1-ol.

Molecular Properties

Compound Name2-benzyloctadecan-1-ol
PubChem CID67814123
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name2-benzyloctadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(CO)Cc1ccccc1
InChIInChI=1S/C25H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-25(23-26)22-24-19-17-15-18-20-24/h15,17-20,25-26H,2-14,16,21-23H2,1H3
InChIKeyUROIDFBYEIASDD-UHFFFAOYSA-N
XLogP7.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 57.71
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

2-benzyltetradecylbenzene
CID 22920205
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
(3S)-3-benzylheptan-1-ol
CID 15214037
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
2-benzyl-N-methyldecan-1-amine
CID 63498488
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
6-benzyldecylbenzene
CID 54156815
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106

Frequently Asked Questions

What is the IUPAC name of 2-benzyloctadecan-1-ol?
The IUPAC name of 2-benzyloctadecan-1-ol (CID 67814123) is 2-benzyloctadecan-1-ol.
What is the SMILES notation for 2-benzyloctadecan-1-ol?
The canonical SMILES for 2-benzyloctadecan-1-ol is CCCCCCCCCCCCCCCCC(CO)Cc1ccccc1.
What is the InChIKey of 2-benzyloctadecan-1-ol?
The InChIKey is UROIDFBYEIASDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-25(23-26)22-24-19-17-15-18-20-24/h15,17-20,25-26H,2-14,16,21-23H2,1H3.
What are the key properties of 2-benzyloctadecan-1-ol?
2-benzyloctadecan-1-ol has a molecular weight of 360.63 g/mol, XLogP of 7.71, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyloctadecan-1-ol is sourced from PubChem (CID 67814123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).