2-(8-ethylpentadecan-8-yl)phenol

C23H40O — CID 87184015

IUPAC2-(8-ethylpentadecan-8-yl)phenol
SMILESCCCCCCCC(CC)(CCCCCCC)c1ccccc1O
InChIInChI=1S/C23H40O/c1-4-7-9-11-15-19-23(6-3,20-16-12-10-8-5-2)21-17-13-14-18-22(21)24/h13-14,17-18,24H,4-12,15-16,19-20H2,1-3H3
InChIKeyGDXWVRLBNXBUHP-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.76
Rot. Bonds14

About 2-(8-ethylpentadecan-8-yl)phenol

2-(8-ethylpentadecan-8-yl)phenol (PubChem CID 87184015) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 2-(8-ethylpentadecan-8-yl)phenol.

Molecular Properties

Compound Name2-(8-ethylpentadecan-8-yl)phenol
PubChem CID87184015
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name2-(8-ethylpentadecan-8-yl)phenol
SMILESCCCCCCCC(CC)(CCCCCCC)c1ccccc1O
InChIInChI=1S/C23H40O/c1-4-7-9-11-15-19-23(6-3,20-16-12-10-8-5-2)21-17-13-14-18-22(21)24/h13-14,17-18,24H,4-12,15-16,19-20H2,1-3H3
InChIKeyGDXWVRLBNXBUHP-UHFFFAOYSA-N
XLogP7.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.76
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-(11-ethylhenicosan-11-yl)phenol
CID 87183827
2-(6-ethylundecan-6-yl)phenol
CID 87183650
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
2-(1,1-diphenoxynonyl)phenol
CID 66866946
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
1-methyl-2-(4-propylnonan-4-yl)benzene
CID 173020959
1,3-bis(3-ethyldodecan-3-yl)benzene
CID 150177069
3-(chloromethyl)undecan-3-ylbenzene
CID 66033821
5-butylhexadecan-5-ylbenzene
CID 173084700

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethylpentadecan-8-yl)phenol?
The IUPAC name of 2-(8-ethylpentadecan-8-yl)phenol (CID 87184015) is 2-(8-ethylpentadecan-8-yl)phenol.
What is the SMILES notation for 2-(8-ethylpentadecan-8-yl)phenol?
The canonical SMILES for 2-(8-ethylpentadecan-8-yl)phenol is CCCCCCCC(CC)(CCCCCCC)c1ccccc1O.
What is the InChIKey of 2-(8-ethylpentadecan-8-yl)phenol?
The InChIKey is GDXWVRLBNXBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-4-7-9-11-15-19-23(6-3,20-16-12-10-8-5-2)21-17-13-14-18-22(21)24/h13-14,17-18,24H,4-12,15-16,19-20H2,1-3H3.
What are the key properties of 2-(8-ethylpentadecan-8-yl)phenol?
2-(8-ethylpentadecan-8-yl)phenol has a molecular weight of 332.57 g/mol, XLogP of 7.76, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethylpentadecan-8-yl)phenol is sourced from PubChem (CID 87184015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).