5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol

C15H16O2 — CID 101299097

IUPAC5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol
SMILESCc1ccc(-c2cc(C)c(O)c(O)c2)cc1C
InChIInChI=1S/C15H16O2/c1-9-4-5-12(6-10(9)2)13-7-11(3)15(17)14(16)8-13/h4-8,16-17H,1-3H3
InChIKeyZKHJRKMGMMYDRJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.69
Rot. Bonds1

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

5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol (PubChem CID 101299097) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol
PubChem CID101299097
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol
SMILESCc1ccc(-c2cc(C)c(O)c(O)c2)cc1C
InChIInChI=1S/C15H16O2/c1-9-4-5-12(6-10(9)2)13-7-11(3)15(17)14(16)8-13/h4-8,16-17H,1-3H3
InChIKeyZKHJRKMGMMYDRJ-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol
CID 142760792
5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 130228173
ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 174407562
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
CID 101299529
2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol
CID 101299157
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
2,6-dimethyl-4-(4-sulfanylphenyl)phenol
CID 129086516

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol (CID 101299097) is 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol is Cc1ccc(-c2cc(C)c(O)c(O)c2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol?
The InChIKey is ZKHJRKMGMMYDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-4-5-12(6-10(9)2)13-7-11(3)15(17)14(16)8-13/h4-8,16-17H,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol?
5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol has a molecular weight of 228.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol is sourced from PubChem (CID 101299097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).