2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol

C21H21O2P — CID 23082352

IUPAC2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol
SMILESCc1cccc(C(P)(c2ccccc2)c2cccc(C)c2O)c1O
InChIInChI=1S/C21H21O2P/c1-14-8-6-12-17(19(14)22)21(24,16-10-4-3-5-11-16)18-13-7-9-15(2)20(18)23/h3-13,22-23H,24H2,1-2H3
InChIKeyCYKWYRZSPMKSQK-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.88
Rot. Bonds3

About 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol

2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol (PubChem CID 23082352) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol
PubChem CID23082352
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol
SMILESCc1cccc(C(P)(c2ccccc2)c2cccc(C)c2O)c1O
InChIInChI=1S/C21H21O2P/c1-14-8-6-12-17(19(14)22)21(24,16-10-4-3-5-11-16)18-13-7-9-15(2)20(18)23/h3-13,22-23H,24H2,1-2H3
InChIKeyCYKWYRZSPMKSQK-UHFFFAOYSA-N
XLogP4.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol?
The IUPAC name of 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol (CID 23082352) is 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol?
The canonical SMILES for 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol is Cc1cccc(C(P)(c2ccccc2)c2cccc(C)c2O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol?
The InChIKey is CYKWYRZSPMKSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2P/c1-14-8-6-12-17(19(14)22)21(24,16-10-4-3-5-11-16)18-13-7-9-15(2)20(18)23/h3-13,22-23H,24H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol?
2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol has a molecular weight of 336.37 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol is sourced from PubChem (CID 23082352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).