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

C13H12O3 — CID 101299746

IUPAC2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol
SMILESCc1cc(O)cc(-c2cc(O)ccc2O)c1
InChIInChI=1S/C13H12O3/c1-8-4-9(6-11(15)5-8)12-7-10(14)2-3-13(12)16/h2-7,14-16H,1H3
InChIKeyXTPZBYBRKQBRNL-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.78
Rot. Bonds1

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

2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol (PubChem CID 101299746) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol
PubChem CID101299746
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol
SMILESCc1cc(O)cc(-c2cc(O)ccc2O)c1
InChIInChI=1S/C13H12O3/c1-8-4-9(6-11(15)5-8)12-7-10(14)2-3-13(12)16/h2-7,14-16H,1H3
InChIKeyXTPZBYBRKQBRNL-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': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol?
The IUPAC name of 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol (CID 101299746) is 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol?
The canonical SMILES for 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol is Cc1cc(O)cc(-c2cc(O)ccc2O)c1.
What is the InChIKey of 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol?
The InChIKey is XTPZBYBRKQBRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-4-9(6-11(15)5-8)12-7-10(14)2-3-13(12)16/h2-7,14-16H,1H3.
What are the key properties of 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol?
2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol 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 2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol is sourced from PubChem (CID 101299746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).