4-hexyl-2-(2-hydroxyphenyl)phenol

C18H22O2 — CID 139699928

IUPAC4-hexyl-2-(2-hydroxyphenyl)phenol
SMILESCCCCCCc1ccc(O)c(-c2ccccc2O)c1
InChIInChI=1S/C18H22O2/c1-2-3-4-5-8-14-11-12-18(20)16(13-14)15-9-6-7-10-17(15)19/h6-7,9-13,19-20H,2-5,8H2,1H3
InChIKeyYDDUNUFUOOMSJX-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.89
Rot. Bonds6

About 4-hexyl-2-(2-hydroxyphenyl)phenol

4-hexyl-2-(2-hydroxyphenyl)phenol (PubChem CID 139699928) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-hexyl-2-(2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name4-hexyl-2-(2-hydroxyphenyl)phenol
PubChem CID139699928
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-hexyl-2-(2-hydroxyphenyl)phenol
SMILESCCCCCCc1ccc(O)c(-c2ccccc2O)c1
InChIInChI=1S/C18H22O2/c1-2-3-4-5-8-14-11-12-18(20)16(13-14)15-9-6-7-10-17(15)19/h6-7,9-13,19-20H,2-5,8H2,1H3
InChIKeyYDDUNUFUOOMSJX-UHFFFAOYSA-N
XLogP4.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hexyl-2-(2-hydroxyphenyl)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

4-pentyl-2-phenylphenol
CID 154147556
2-(9H-fluoren-1-yl)-4-nonylphenol
CID 152722460
2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol
CID 16741909
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
2-methyl-4-octadecylphenol
CID 3022311
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
4-nonyl-2-pentylphenol
CID 86162849
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
2-octylanthracene-9,10-dione
CID 141254876
2-ethyl-4-heptylphenol
CID 58289223
2-(2-pentylphenyl)phenol
CID 66866892
3-hentriacontylphenol
CID 101292722

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-(2-hydroxyphenyl)phenol?
The IUPAC name of 4-hexyl-2-(2-hydroxyphenyl)phenol (CID 139699928) is 4-hexyl-2-(2-hydroxyphenyl)phenol.
What is the SMILES notation for 4-hexyl-2-(2-hydroxyphenyl)phenol?
The canonical SMILES for 4-hexyl-2-(2-hydroxyphenyl)phenol is CCCCCCc1ccc(O)c(-c2ccccc2O)c1.
What is the InChIKey of 4-hexyl-2-(2-hydroxyphenyl)phenol?
The InChIKey is YDDUNUFUOOMSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-4-5-8-14-11-12-18(20)16(13-14)15-9-6-7-10-17(15)19/h6-7,9-13,19-20H,2-5,8H2,1H3.
What are the key properties of 4-hexyl-2-(2-hydroxyphenyl)phenol?
4-hexyl-2-(2-hydroxyphenyl)phenol has a molecular weight of 270.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-(2-hydroxyphenyl)phenol is sourced from PubChem (CID 139699928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).