4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol

C24H26O3 — CID 162507971

IUPAC4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol
SMILESCc1ccc(Cc2cc(O)c(Cc3cc(C)c(O)c(C)c3)cc2C)cc1O
InChIInChI=1S/C24H26O3/c1-14-5-6-18(12-22(14)25)10-20-13-23(26)21(9-15(20)2)11-19-7-16(3)24(27)17(4)8-19/h5-9,12-13,25-27H,10-11H2,1-4H3
InChIKeyGKJYUDGRSQAGQS-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.22
Rot. Bonds4

About 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol

4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol (PubChem CID 162507971) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol
PubChem CID162507971
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol
SMILESCc1ccc(Cc2cc(O)c(Cc3cc(C)c(O)c(C)c3)cc2C)cc1O
InChIInChI=1S/C24H26O3/c1-14-5-6-18(12-22(14)25)10-20-13-23(26)21(9-15(20)2)11-19-7-16(3)24(27)17(4)8-19/h5-9,12-13,25-27H,10-11H2,1-4H3
InChIKeyGKJYUDGRSQAGQS-UHFFFAOYSA-N
XLogP5.22
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol 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-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol (CID 162507971) is 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol is Cc1ccc(Cc2cc(O)c(Cc3cc(C)c(O)c(C)c3)cc2C)cc1O.
What is the InChIKey of 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol?
The InChIKey is GKJYUDGRSQAGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-14-5-6-18(12-22(14)25)10-20-13-23(26)21(9-15(20)2)11-19-7-16(3)24(27)17(4)8-19/h5-9,12-13,25-27H,10-11H2,1-4H3.
What are the key properties of 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol?
4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol has a molecular weight of 362.47 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-4-[(3-hydroxy-4-methylphenyl)methyl]-5-methylphenyl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 162507971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).