5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol

C15H16O3 — CID 101299529

IUPAC5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
SMILESCc1ccc(-c2c(O)cc(O)c(O)c2C)cc1C
InChIInChI=1S/C15H16O3/c1-8-4-5-11(6-9(8)2)14-10(3)15(18)13(17)7-12(14)16/h4-7,16-18H,1-3H3
InChIKeyLFXMPLBXFMKJLK-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

About 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol

5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol (PubChem CID 101299529) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
PubChem CID101299529
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
SMILESCc1ccc(-c2c(O)cc(O)c(O)c2C)cc1C
InChIInChI=1S/C15H16O3/c1-8-4-5-11(6-9(8)2)14-10(3)15(18)13(17)7-12(14)16/h4-7,16-18H,1-3H3
InChIKeyLFXMPLBXFMKJLK-UHFFFAOYSA-N
XLogP3.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol 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

5-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 101299097
5-methyl-6-(4-methylphenyl)benzene-1,2,4-triol
CID 101299805
2-(3,4,5-trimethylphenyl)benzene-1,3,5-triol
CID 101299580
3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol
CID 101299061
4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol
CID 101299642
2-(3,4-dimethylphenyl)-3,4-dimethylbenzenethiol
CID 54531237
4-(2-hydroxy-3,6-dimethylphenyl)benzene-1,2-diol
CID 101299442
2,4-dichloro-6-(3,4-dimethylphenyl)phenol
CID 82107036
2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol
CID 101299157
5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol
CID 142760792
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol?
The IUPAC name of 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol (CID 101299529) is 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol?
The canonical SMILES for 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol is Cc1ccc(-c2c(O)cc(O)c(O)c2C)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol?
The InChIKey is LFXMPLBXFMKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-4-5-11(6-9(8)2)14-10(3)15(18)13(17)7-12(14)16/h4-7,16-18H,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol?
5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol has a molecular weight of 244.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol is sourced from PubChem (CID 101299529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).