3-(dihydroxymethyl)benzene-1,2-diol

C7H8O4 — CID 22263395

IUPAC3-(dihydroxymethyl)benzene-1,2-diol
SMILESOc1cccc(C(O)O)c1O
InChIInChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7-11H
InChIKeyUTDDQGXWZMKMJR-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.08
Rot. Bonds1

About 3-(dihydroxymethyl)benzene-1,2-diol

3-(dihydroxymethyl)benzene-1,2-diol (PubChem CID 22263395) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-(dihydroxymethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(dihydroxymethyl)benzene-1,2-diol
PubChem CID22263395
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name3-(dihydroxymethyl)benzene-1,2-diol
SMILESOc1cccc(C(O)O)c1O
InChIInChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7-11H
InChIKeyUTDDQGXWZMKMJR-UHFFFAOYSA-N
XLogP0.08
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(dihydroxymethyl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide
CID 18955501
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
benzene-1,2,3-triol
CID 87074018
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
3-[2-[2,2-bis(2,3-dihydroxyphenyl)ethoxy]-1-(2,3-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 150382081
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
3-(2-hydroxypentan-3-yl)benzene-1,2-diol
CID 174450984
3-(1,4-dihydroxypentyl)benzene-1,2-diol
CID 18798728
3-[(1R)-1-amino-2-fluoroethyl]benzene-1,2-diol
CID 131172415
3-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,2-diol;hydrochloride
CID 171239940
benzene-1,2,3-triol;bismuthane
CID 174447840

Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxymethyl)benzene-1,2-diol?
The IUPAC name of 3-(dihydroxymethyl)benzene-1,2-diol (CID 22263395) is 3-(dihydroxymethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(dihydroxymethyl)benzene-1,2-diol?
The canonical SMILES for 3-(dihydroxymethyl)benzene-1,2-diol is Oc1cccc(C(O)O)c1O.
What is the InChIKey of 3-(dihydroxymethyl)benzene-1,2-diol?
The InChIKey is UTDDQGXWZMKMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7-11H.
What are the key properties of 3-(dihydroxymethyl)benzene-1,2-diol?
3-(dihydroxymethyl)benzene-1,2-diol has a molecular weight of 156.14 g/mol, XLogP of 0.08, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxymethyl)benzene-1,2-diol is sourced from PubChem (CID 22263395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).