2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol

C9H12O3 — CID 59638979

IUPAC2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol
SMILESCc1cc(O)c(CO)c(C)c1O
InChIInChI=1S/C9H12O3/c1-5-3-8(11)7(4-10)6(2)9(5)12/h3,10-12H,4H2,1-2H3
InChIKeyGJDIXKSMFHSPRO-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.21
Rot. Bonds1

About 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol

2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol (PubChem CID 59638979) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol
PubChem CID59638979
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol
SMILESCc1cc(O)c(CO)c(C)c1O
InChIInChI=1S/C9H12O3/c1-5-3-8(11)7(4-10)6(2)9(5)12/h3,10-12H,4H2,1-2H3
InChIKeyGJDIXKSMFHSPRO-UHFFFAOYSA-N
XLogP1.21
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.21
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-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol?
The IUPAC name of 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol (CID 59638979) is 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol is Cc1cc(O)c(CO)c(C)c1O.
What is the InChIKey of 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol?
The InChIKey is GJDIXKSMFHSPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-5-3-8(11)7(4-10)6(2)9(5)12/h3,10-12H,4H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol?
2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol has a molecular weight of 168.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol is sourced from PubChem (CID 59638979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).