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

C13H12O2 — CID 101298846

IUPAC4-(3-methylphenyl)benzene-1,2-diol
SMILESCc1cccc(-c2ccc(O)c(O)c2)c1
InChIInChI=1S/C13H12O2/c1-9-3-2-4-10(7-9)11-5-6-12(14)13(15)8-11/h2-8,14-15H,1H3
InChIKeyCSYSUTVIQTZGHO-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.07
Rot. Bonds1

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

4-(3-methylphenyl)benzene-1,2-diol (PubChem CID 101298846) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(3-methylphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3-methylphenyl)benzene-1,2-diol
PubChem CID101298846
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name4-(3-methylphenyl)benzene-1,2-diol
SMILESCc1cccc(-c2ccc(O)c(O)c2)c1
InChIInChI=1S/C13H12O2/c1-9-3-2-4-10(7-9)11-5-6-12(14)13(15)8-11/h2-8,14-15H,1H3
InChIKeyCSYSUTVIQTZGHO-UHFFFAOYSA-N
XLogP3.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.07
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

2-hydroxy-5-(3-methylphenyl)benzonitrile
CID 53219819
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
2-(1-aminoethyl)-4-(3-methylphenyl)phenol
CID 115036226
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
2-(3-methylphenyl)phenol
CID 11206198
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
ethane;1-methyl-3-phenylbenzene
CID 142040878
4-chloro-2-(3-methylphenyl)phenol
CID 83129691

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)benzene-1,2-diol?
The IUPAC name of 4-(3-methylphenyl)benzene-1,2-diol (CID 101298846) is 4-(3-methylphenyl)benzene-1,2-diol.
What is the SMILES notation for 4-(3-methylphenyl)benzene-1,2-diol?
The canonical SMILES for 4-(3-methylphenyl)benzene-1,2-diol is Cc1cccc(-c2ccc(O)c(O)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)benzene-1,2-diol?
The InChIKey is CSYSUTVIQTZGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-3-2-4-10(7-9)11-5-6-12(14)13(15)8-11/h2-8,14-15H,1H3.
What are the key properties of 4-(3-methylphenyl)benzene-1,2-diol?
4-(3-methylphenyl)benzene-1,2-diol has a molecular weight of 200.24 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)benzene-1,2-diol is sourced from PubChem (CID 101298846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).