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

C13H12O3 — CID 101299666

IUPAC3-(2-methylphenyl)benzene-1,2,4-triol
SMILESCc1ccccc1-c1c(O)ccc(O)c1O
InChIInChI=1S/C13H12O3/c1-8-4-2-3-5-9(8)12-10(14)6-7-11(15)13(12)16/h2-7,14-16H,1H3
InChIKeyFJMLEGSXANBCNU-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.78
Rot. Bonds1

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

3-(2-methylphenyl)benzene-1,2,4-triol (PubChem CID 101299666) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(2-methylphenyl)benzene-1,2,4-triol.

Molecular Properties

Compound Name3-(2-methylphenyl)benzene-1,2,4-triol
PubChem CID101299666
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3-(2-methylphenyl)benzene-1,2,4-triol
SMILESCc1ccccc1-c1c(O)ccc(O)c1O
InChIInChI=1S/C13H12O3/c1-8-4-2-3-5-9(8)12-10(14)6-7-11(15)13(12)16/h2-7,14-16H,1H3
InChIKeyFJMLEGSXANBCNU-UHFFFAOYSA-N
XLogP2.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-4-pyridin-3-ylbenzene-1,3-diol
CID 15509097
3,8-dimethylazulen-4-ol
CID 11557365
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
3,5-dimethyl-4-(2-methylphenyl)phenol
CID 21281420
benzene-1,2,3-triol;1,2-xylene
CID 175355365
4-(2,3,6-trihydroxyphenyl)benzene-1,2,3-triol
CID 141142234
3-methylbenzene-1,2-diol
CID 135381405
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
3,4,5-trihydroxy-2-(2-methylphenyl)benzoic acid
CID 57088351
2-(2-hydroxyphenyl)-3-(2-methylphenyl)phenol;phosphoric acid
CID 174454896
2-(2-hydroxyphenyl)-3,6-dimethylphenol
CID 101298934
ethane;2-(2-methylphenyl)phenol;propane
CID 142042568

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)benzene-1,2,4-triol?
The IUPAC name of 3-(2-methylphenyl)benzene-1,2,4-triol (CID 101299666) is 3-(2-methylphenyl)benzene-1,2,4-triol.
What is the SMILES notation for 3-(2-methylphenyl)benzene-1,2,4-triol?
The canonical SMILES for 3-(2-methylphenyl)benzene-1,2,4-triol is Cc1ccccc1-c1c(O)ccc(O)c1O.
What is the InChIKey of 3-(2-methylphenyl)benzene-1,2,4-triol?
The InChIKey is FJMLEGSXANBCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-4-2-3-5-9(8)12-10(14)6-7-11(15)13(12)16/h2-7,14-16H,1H3.
What are the key properties of 3-(2-methylphenyl)benzene-1,2,4-triol?
3-(2-methylphenyl)benzene-1,2,4-triol has a molecular weight of 216.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)benzene-1,2,4-triol is sourced from PubChem (CID 101299666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).