4-(2-hydroxy-1-phenylundecan-2-yl)phenol

C23H32O2 — CID 175286085

IUPAC4-(2-hydroxy-1-phenylundecan-2-yl)phenol
SMILESCCCCCCCCCC(O)(Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C23H32O2/c1-2-3-4-5-6-7-11-18-23(25,19-20-12-9-8-10-13-20)21-14-16-22(24)17-15-21/h8-10,12-17,24-25H,2-7,11,18-19H2,1H3
InChIKeyRCXIMGPKAJNNNS-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.96
Rot. Bonds11

About 4-(2-hydroxy-1-phenylundecan-2-yl)phenol

4-(2-hydroxy-1-phenylundecan-2-yl)phenol (PubChem CID 175286085) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 4-(2-hydroxy-1-phenylundecan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-hydroxy-1-phenylundecan-2-yl)phenol
PubChem CID175286085
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name4-(2-hydroxy-1-phenylundecan-2-yl)phenol
SMILESCCCCCCCCCC(O)(Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C23H32O2/c1-2-3-4-5-6-7-11-18-23(25,19-20-12-9-8-10-13-20)21-14-16-22(24)17-15-21/h8-10,12-17,24-25H,2-7,11,18-19H2,1H3
InChIKeyRCXIMGPKAJNNNS-UHFFFAOYSA-N
XLogP5.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxy-1-phenylundecan-2-yl)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

1,2-diphenylheptan-2-ol
CID 139785734
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
8-benzylpentadecan-8-ol
CID 13016086
4-(2-phenyloctan-2-yl)phenol
CID 174541966
2-benzyl-2-(4-hydroxyphenyl)hexanamide
CID 70049047
4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
10-phenylnonadecane-1,10-diol
CID 159665017
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
dodecane;phenol
CID 157210063
2,2-diethylundecylbenzene
CID 151975771
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-1-phenylundecan-2-yl)phenol?
The IUPAC name of 4-(2-hydroxy-1-phenylundecan-2-yl)phenol (CID 175286085) is 4-(2-hydroxy-1-phenylundecan-2-yl)phenol.
What is the SMILES notation for 4-(2-hydroxy-1-phenylundecan-2-yl)phenol?
The canonical SMILES for 4-(2-hydroxy-1-phenylundecan-2-yl)phenol is CCCCCCCCCC(O)(Cc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-(2-hydroxy-1-phenylundecan-2-yl)phenol?
The InChIKey is RCXIMGPKAJNNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-2-3-4-5-6-7-11-18-23(25,19-20-12-9-8-10-13-20)21-14-16-22(24)17-15-21/h8-10,12-17,24-25H,2-7,11,18-19H2,1H3.
What are the key properties of 4-(2-hydroxy-1-phenylundecan-2-yl)phenol?
4-(2-hydroxy-1-phenylundecan-2-yl)phenol has a molecular weight of 340.51 g/mol, XLogP of 5.96, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-1-phenylundecan-2-yl)phenol is sourced from PubChem (CID 175286085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).