4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol

C29H28O2 — CID 139721839

IUPAC4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1C(c1ccccc1)(c1ccccc1)c1c(C)cc(O)cc1C
InChIInChI=1S/C29H28O2/c1-19-15-25(30)16-20(2)27(19)29(23-11-7-5-8-12-23,24-13-9-6-10-14-24)28-21(3)17-26(31)18-22(28)4/h5-18,30-31H,1-4H3
InChIKeyONUQILQEKZNXHN-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.71
Rot. Bonds4

About 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol

4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol (PubChem CID 139721839) has the molecular formula C29H28O2 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol
PubChem CID139721839
Molecular FormulaC29H28O2
Molecular Weight408.54 g/mol
Exact Mass408.21
IUPAC Name4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1C(c1ccccc1)(c1ccccc1)c1c(C)cc(O)cc1C
InChIInChI=1S/C29H28O2/c1-19-15-25(30)16-20(2)27(19)29(23-11-7-5-8-12-23,24-13-9-6-10-14-24)28-21(3)17-26(31)18-22(28)4/h5-18,30-31H,1-4H3
InChIKeyONUQILQEKZNXHN-UHFFFAOYSA-N
XLogP6.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol 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-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
CID 146638206
benzene;4-chloro-3,5-dimethylphenol;phenol
CID 174934171
phenol;1,2,4,5-tetramethylbenzene
CID 158089853
4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol
CID 134267119
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
3,5-dimethyl-4-phenylselanylphenol
CID 10912804
4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
CID 59253853
4-[tris[3-methyl-4-(2-phenylethynyl)phenyl]methyl]phenol
CID 15439638
3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol
CID 118041075
3,5-dimethyl-4-(2-methylphenyl)phenol
CID 21281420
2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol
CID 20520008

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol?
The IUPAC name of 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol (CID 139721839) is 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1C(c1ccccc1)(c1ccccc1)c1c(C)cc(O)cc1C.
What is the InChIKey of 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol?
The InChIKey is ONUQILQEKZNXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2/c1-19-15-25(30)16-20(2)27(19)29(23-11-7-5-8-12-23,24-13-9-6-10-14-24)28-21(3)17-26(31)18-22(28)4/h5-18,30-31H,1-4H3.
What are the key properties of 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol?
4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol has a molecular weight of 408.54 g/mol, XLogP of 6.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol is sourced from PubChem (CID 139721839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).