2-(2-hexan-3-ylphenyl)phenol

C18H22O — CID 66866315

IUPAC2-(2-hexan-3-ylphenyl)phenol
SMILESCCCC(CC)c1ccccc1-c1ccccc1O
InChIInChI=1S/C18H22O/c1-3-9-14(4-2)15-10-5-6-11-16(15)17-12-7-8-13-18(17)19/h5-8,10-14,19H,3-4,9H2,1-2H3
InChIKeyCMIHCZWOYUEQKQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.35
Rot. Bonds5

About 2-(2-hexan-3-ylphenyl)phenol

2-(2-hexan-3-ylphenyl)phenol (PubChem CID 66866315) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(2-hexan-3-ylphenyl)phenol.

Molecular Properties

Compound Name2-(2-hexan-3-ylphenyl)phenol
PubChem CID66866315
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-(2-hexan-3-ylphenyl)phenol
SMILESCCCC(CC)c1ccccc1-c1ccccc1O
InChIInChI=1S/C18H22O/c1-3-9-14(4-2)15-10-5-6-11-16(15)17-12-7-8-13-18(17)19/h5-8,10-14,19H,3-4,9H2,1-2H3
InChIKeyCMIHCZWOYUEQKQ-UHFFFAOYSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-hexan-3-ylphenyl)phenol 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-(2-heptan-3-ylphenyl)phenol
CID 66865867
2-(2-nonan-3-ylphenyl)phenol
CID 66866452
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
1-chloro-3-(2-hexan-3-ylphenyl)benzene
CID 134401046
ethane;1-ethyl-2-hexan-3-ylbenzene
CID 165145601
3-hexan-3-yl-2-nonylphenol
CID 174697937
2-decyl-3-hexan-3-ylphenol
CID 174709915
5-heptan-4-yl-2-(4-heptan-4-yl-2-hydroxyphenyl)phenol
CID 66659268
3-hexan-3-yl-2-methylpyridine
CID 143825062
2-pentadecan-6-ylphenol
CID 66865451
2-dodecyl-3-nonan-3-ylphenol
CID 174777287

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexan-3-ylphenyl)phenol?
The IUPAC name of 2-(2-hexan-3-ylphenyl)phenol (CID 66866315) is 2-(2-hexan-3-ylphenyl)phenol.
What is the SMILES notation for 2-(2-hexan-3-ylphenyl)phenol?
The canonical SMILES for 2-(2-hexan-3-ylphenyl)phenol is CCCC(CC)c1ccccc1-c1ccccc1O.
What is the InChIKey of 2-(2-hexan-3-ylphenyl)phenol?
The InChIKey is CMIHCZWOYUEQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-9-14(4-2)15-10-5-6-11-16(15)17-12-7-8-13-18(17)19/h5-8,10-14,19H,3-4,9H2,1-2H3.
What are the key properties of 2-(2-hexan-3-ylphenyl)phenol?
2-(2-hexan-3-ylphenyl)phenol has a molecular weight of 254.37 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexan-3-ylphenyl)phenol is sourced from PubChem (CID 66866315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).