4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol

C33H29NO2 — CID 15333012

IUPAC4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C33H29NO2/c1-23-3-13-28(14-4-23)34(29-15-5-24(2)6-16-29)30-17-7-25(8-18-30)33(26-9-19-31(35)20-10-26)27-11-21-32(36)22-12-27/h3-22,33,35-36H,1-2H3
InChIKeySSPXQUVORICGGF-UHFFFAOYSA-N
MW471.60 g/mol
LogP8.36
Rot. Bonds6

About 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol

4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol (PubChem CID 15333012) has the molecular formula C33H29NO2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol
PubChem CID15333012
Molecular FormulaC33H29NO2
Molecular Weight471.60 g/mol
Exact Mass471.22
IUPAC Name4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C33H29NO2/c1-23-3-13-28(14-4-23)34(29-15-5-24(2)6-16-29)30-17-7-25(8-18-30)33(26-9-19-31(35)20-10-26)27-11-21-32(36)22-12-27/h3-22,33,35-36H,1-2H3
InChIKeySSPXQUVORICGGF-UHFFFAOYSA-N
XLogP8.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol 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 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol (CID 15333012) is 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol?
The InChIKey is SSPXQUVORICGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NO2/c1-23-3-13-28(14-4-23)34(29-15-5-24(2)6-16-29)30-17-7-25(8-18-30)33(26-9-19-31(35)20-10-26)27-11-21-32(36)22-12-27/h3-22,33,35-36H,1-2H3.
What are the key properties of 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol?
4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol has a molecular weight of 471.60 g/mol, XLogP of 8.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]phenol is sourced from PubChem (CID 15333012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).