4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol

C23H24O4 — CID 22338943

IUPAC4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol
SMILESCc1cc(C)c(C(c2ccc(O)c(O)c2)c2c(C)cc(C)cc2O)c(O)c1
InChIInChI=1S/C23H24O4/c1-12-7-14(3)21(19(26)9-12)23(16-5-6-17(24)18(25)11-16)22-15(4)8-13(2)10-20(22)27/h5-11,23-27H,1-4H3
InChIKeyIGQQWLCZVPABHC-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.92
Rot. Bonds3

About 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol

4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol (PubChem CID 22338943) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol
PubChem CID22338943
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol
SMILESCc1cc(C)c(C(c2ccc(O)c(O)c2)c2c(C)cc(C)cc2O)c(O)c1
InChIInChI=1S/C23H24O4/c1-12-7-14(3)21(19(26)9-12)23(16-5-6-17(24)18(25)11-16)22-15(4)8-13(2)10-20(22)27/h5-11,23-27H,1-4H3
InChIKeyIGQQWLCZVPABHC-UHFFFAOYSA-N
XLogP4.92
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol 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

2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 22338935
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
CID 23628862
2,6-bis[bis(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 86179554
4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol
CID 18966010
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2-[(1S)-1-aminopropyl]-3,5-dimethylphenol
CID 130840850
3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol
CID 131240979
4-[bis(2-tert-butyl-3-hydroxy-6-methoxyphenyl)methyl]benzene-1,2-diol
CID 18764779
5-(2,4,6-trimethylphenyl)benzene-1,2,4-triol
CID 101299568
2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 102424992

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol?
The IUPAC name of 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol (CID 22338943) is 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol is Cc1cc(C)c(C(c2ccc(O)c(O)c2)c2c(C)cc(C)cc2O)c(O)c1.
What is the InChIKey of 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol?
The InChIKey is IGQQWLCZVPABHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-12-7-14(3)21(19(26)9-12)23(16-5-6-17(24)18(25)11-16)22-15(4)8-13(2)10-20(22)27/h5-11,23-27H,1-4H3.
What are the key properties of 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol?
4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol has a molecular weight of 364.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol is sourced from PubChem (CID 22338943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).