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

C9H12O3 — CID 87355604

IUPAC5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol
SMILESCc1c(O)cc(CO)c(O)c1C
InChIInChI=1S/C9H12O3/c1-5-6(2)9(12)7(4-10)3-8(5)11/h3,10-12H,4H2,1-2H3
InChIKeyHRGLVAYFJXEWJL-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.21
Rot. Bonds1

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

5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol (PubChem CID 87355604) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol
PubChem CID87355604
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol
SMILESCc1c(O)cc(CO)c(O)c1C
InChIInChI=1S/C9H12O3/c1-5-6(2)9(12)7(4-10)3-8(5)11/h3,10-12H,4H2,1-2H3
InChIKeyHRGLVAYFJXEWJL-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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Related Compounds

5-ethyl-2,3-dimethylbenzene-1,4-diol
CID 86605484
5-(hydroxymethyl)-4-methylbenzene-1,2,3-triol
CID 123599997
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987
5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
CID 102196644
5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699
6-(hydroxymethyl)-3-methoxy-2,4-dimethylphenol
CID 84768719
5-(hydroxymethyl)-4-[2,3,4-trihydroxy-6-(hydroxymethyl)phenyl]benzene-1,2,3-triol;methoxymethane
CID 23615757
carbonic acid;2,3,5-trimethylbenzene-1,4-diol
CID 174747915
2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol
CID 59638979
2-(hydroxymethyl)-4-iodo-6-methylphenol
CID 74655415
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
CID 119015933

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol?
The IUPAC name of 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol (CID 87355604) is 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol.
What is the SMILES notation for 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol?
The canonical SMILES for 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol is Cc1c(O)cc(CO)c(O)c1C.
What is the InChIKey of 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol?
The InChIKey is HRGLVAYFJXEWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-5-6(2)9(12)7(4-10)3-8(5)11/h3,10-12H,4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol?
5-(hydroxymethyl)-2,3-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 5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol is sourced from PubChem (CID 87355604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).