2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol

C15H16O2 — CID 101299157

IUPAC2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol
SMILESCc1ccc(-c2cc(O)cc(C)c2O)cc1C
InChIInChI=1S/C15H16O2/c1-9-4-5-12(6-10(9)2)14-8-13(16)7-11(3)15(14)17/h4-8,16-17H,1-3H3
InChIKeyPBKVNOCRRXUXDW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.69
Rot. Bonds1

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

2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol (PubChem CID 101299157) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol
PubChem CID101299157
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol
SMILESCc1ccc(-c2cc(O)cc(C)c2O)cc1C
InChIInChI=1S/C15H16O2/c1-9-4-5-12(6-10(9)2)14-8-13(16)7-11(3)15(14)17/h4-8,16-17H,1-3H3
InChIKeyPBKVNOCRRXUXDW-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-(3,4-dimethylphenyl)phenol
CID 82107036
5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 101299097
3-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
CID 101299322
5-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
3,4-dimethylphenol;hydrofluoride
CID 163210270
2-(3-hydroxy-5-methylphenyl)-4,6-dimethylphenol
CID 101299248
2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 150395203
5-(3,4-dimethylphenyl)-6-methylbenzene-1,2,4-triol
CID 101299529
2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
CID 101299255
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
CID 143062787
4-(3-hydroxyphenyl)-2,6-dimethylbenzene-1,3-diol
CID 101299851

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol (CID 101299157) is 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol is Cc1ccc(-c2cc(O)cc(C)c2O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol?
The InChIKey is PBKVNOCRRXUXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-4-5-12(6-10(9)2)14-8-13(16)7-11(3)15(14)17/h4-8,16-17H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol?
2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-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 2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol is sourced from PubChem (CID 101299157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).