3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol

C15H16O2 — CID 101299061

IUPAC3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol
SMILESCc1cccc(-c2c(O)cc(C)c(O)c2C)c1
InChIInChI=1S/C15H16O2/c1-9-5-4-6-12(7-9)14-11(3)15(17)10(2)8-13(14)16/h4-8,16-17H,1-3H3
InChIKeyHIQNJDDBOSNCMX-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.69
Rot. Bonds1

About 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol

3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol (PubChem CID 101299061) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol
PubChem CID101299061
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol
SMILESCc1cccc(-c2c(O)cc(C)c(O)c2C)c1
InChIInChI=1S/C15H16O2/c1-9-5-4-6-12(7-9)14-11(3)15(17)10(2)8-13(14)16/h4-8,16-17H,1-3H3
InChIKeyHIQNJDDBOSNCMX-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

4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol
CID 101299034
3,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298795
2,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298799
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846
2-(3-methylphenyl)phenol
CID 11206198
2,5-dimethyl-3-(3-methylphenyl)phenol
CID 101298780
2-[2-methyl-3-(3-methylphenyl)phenyl]phenol
CID 121342890
2-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299632
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
3-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 101299392

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol?
The IUPAC name of 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol (CID 101299061) is 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol.
What is the SMILES notation for 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol?
The canonical SMILES for 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol is Cc1cccc(-c2c(O)cc(C)c(O)c2C)c1.
What is the InChIKey of 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol?
The InChIKey is HIQNJDDBOSNCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-5-4-6-12(7-9)14-11(3)15(17)10(2)8-13(14)16/h4-8,16-17H,1-3H3.
What are the key properties of 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol?
3,5-dimethyl-2-(3-methylphenyl)benzene-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 3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol is sourced from PubChem (CID 101299061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).