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

C15H16O2 — CID 101299034

IUPAC4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol
SMILESCc1cccc(-c2c(O)cc(C)c(C)c2O)c1
InChIInChI=1S/C15H16O2/c1-9-5-4-6-12(7-9)14-13(16)8-10(2)11(3)15(14)17/h4-8,16-17H,1-3H3
InChIKeyPTUSXYWASKGJAG-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.69
Rot. Bonds1

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

4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol (PubChem CID 101299034) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol
PubChem CID101299034
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol
SMILESCc1cccc(-c2c(O)cc(C)c(C)c2O)c1
InChIInChI=1S/C15H16O2/c1-9-5-4-6-12(7-9)14-13(16)8-10(2)11(3)15(14)17/h4-8,16-17H,1-3H3
InChIKeyPTUSXYWASKGJAG-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

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Related Compounds

3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol
CID 101299061
3,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298795
2,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298799
2-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299632
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846
2-(3-methylphenyl)phenol
CID 11206198
2,5-dimethyl-3-(3-methylphenyl)phenol
CID 101298780
4-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,2-diol
CID 101299642
[3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid
CID 68829897
2,3-dimethyl-6-phenyl-5-sulfanylphenol
CID 87447580
2-[2-methyl-3-(3-methylphenyl)phenyl]phenol
CID 121342890
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol?
The IUPAC name of 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol (CID 101299034) is 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol.
What is the SMILES notation for 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol?
The canonical SMILES for 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol is Cc1cccc(-c2c(O)cc(C)c(C)c2O)c1.
What is the InChIKey of 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol?
The InChIKey is PTUSXYWASKGJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-5-4-6-12(7-9)14-13(16)8-10(2)11(3)15(14)17/h4-8,16-17H,1-3H3.
What are the key properties of 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol?
4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-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 4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol is sourced from PubChem (CID 101299034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).