2-benzyl-5-pentadecylphenol

C28H42O — CID 10938093

IUPAC2-benzyl-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1ccc(Cc2ccccc2)c(O)c1
InChIInChI=1S/C28H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-26-21-22-27(28(29)24-26)23-25-18-16-14-17-19-25/h14,16-19,21-22,24,29H,2-13,15,20,23H2,1H3
InChIKeyMBGUCSBATBUDHE-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.62
Rot. Bonds16

About 2-benzyl-5-pentadecylphenol

2-benzyl-5-pentadecylphenol (PubChem CID 10938093) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 2-benzyl-5-pentadecylphenol.

Molecular Properties

Compound Name2-benzyl-5-pentadecylphenol
PubChem CID10938093
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name2-benzyl-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1ccc(Cc2ccccc2)c(O)c1
InChIInChI=1S/C28H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-26-21-22-27(28(29)24-26)23-25-18-16-14-17-19-25/h14,16-19,21-22,24,29H,2-13,15,20,23H2,1H3
InChIKeyMBGUCSBATBUDHE-UHFFFAOYSA-N
XLogP8.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-benzyl-5-pentadecylphenol 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

2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-5-nonylphenol
CID 54394722
2-benzyl-5-octoxyphenol
CID 143162484
1,4-dibenzyl-2-octylbenzene
CID 22921224
1-benzyl-3-pentadecylbenzene
CID 173121378
hexylbenzene;hydrogen peroxide
CID 90001206
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
methyl 2-(2-benzyl-5-pentylphenyl)acetate
CID 121334690
1-benzyl-3,5-dioctylbenzene
CID 22920470
4-butylbenzene-1,2-diol;phenol
CID 170169190
octylbenzene
CID 16607
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-pentadecylphenol?
The IUPAC name of 2-benzyl-5-pentadecylphenol (CID 10938093) is 2-benzyl-5-pentadecylphenol.
What is the SMILES notation for 2-benzyl-5-pentadecylphenol?
The canonical SMILES for 2-benzyl-5-pentadecylphenol is CCCCCCCCCCCCCCCc1ccc(Cc2ccccc2)c(O)c1.
What is the InChIKey of 2-benzyl-5-pentadecylphenol?
The InChIKey is MBGUCSBATBUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-26-21-22-27(28(29)24-26)23-25-18-16-14-17-19-25/h14,16-19,21-22,24,29H,2-13,15,20,23H2,1H3.
What are the key properties of 2-benzyl-5-pentadecylphenol?
2-benzyl-5-pentadecylphenol has a molecular weight of 394.64 g/mol, XLogP of 8.62, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-pentadecylphenol is sourced from PubChem (CID 10938093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).