4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol

C23H24O4 — CID 147502266

IUPAC4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol
SMILESCCc1ccc(C(c2ccc(O)c(C)c2O)c2ccc(O)c(C)c2O)cc1
InChIInChI=1S/C23H24O4/c1-4-15-5-7-16(8-6-15)21(17-9-11-19(24)13(2)22(17)26)18-10-12-20(25)14(3)23(18)27/h5-12,21,24-27H,4H2,1-3H3
InChIKeyFHQKVWVPTQZELB-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.87
Rot. Bonds4

About 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol

4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol (PubChem CID 147502266) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol
PubChem CID147502266
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol
SMILESCCc1ccc(C(c2ccc(O)c(C)c2O)c2ccc(O)c(C)c2O)cc1
InChIInChI=1S/C23H24O4/c1-4-15-5-7-16(8-6-15)21(17-9-11-19(24)13(2)22(17)26)18-10-12-20(25)14(3)23(18)27/h5-12,21,24-27H,4H2,1-3H3
InChIKeyFHQKVWVPTQZELB-UHFFFAOYSA-N
XLogP4.87
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-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

4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029
4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278779
2-[(2,4-dimethylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;4-[(2,4-dimethylphenyl)-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-2-(2-hydroxyphenyl)phenol;2-[(4-ethylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;4-[(4-ethylphenyl)-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-2-(2-hydroxyphenyl)phenol
CID 157445165
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
4-[bis(4-hydroxyphenyl)methyl]phenol;4-[(2,4-dihydroxy-3-methylphenyl)-(4-methylphenyl)methyl]-2-methylbenzene-1,3-diol;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-2,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 162202789
5-[bis(4-ethylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid
CID 139751325
2-(4-ethylphenyl)propane-1,3-diol
CID 14527849
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol
CID 101304331
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
CID 43684152
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol (CID 147502266) is 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol is CCc1ccc(C(c2ccc(O)c(C)c2O)c2ccc(O)c(C)c2O)cc1.
What is the InChIKey of 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol?
The InChIKey is FHQKVWVPTQZELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-4-15-5-7-16(8-6-15)21(17-9-11-19(24)13(2)22(17)26)18-10-12-20(25)14(3)23(18)27/h5-12,21,24-27H,4H2,1-3H3.
What are the key properties of 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol?
4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol has a molecular weight of 364.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 147502266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).