4,6-bis(hydroxymethyl)benzene-1,3-diol

C8H10O4 — CID 66920860

IUPAC4,6-bis(hydroxymethyl)benzene-1,3-diol
SMILESOCc1cc(CO)c(O)cc1O
InChIInChI=1S/C8H10O4/c9-3-5-1-6(4-10)8(12)2-7(5)11/h1-2,9-12H,3-4H2
InChIKeyASXBFZBEXQRQLK-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.08
Rot. Bonds2

About 4,6-bis(hydroxymethyl)benzene-1,3-diol

4,6-bis(hydroxymethyl)benzene-1,3-diol (PubChem CID 66920860) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4,6-bis(hydroxymethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4,6-bis(hydroxymethyl)benzene-1,3-diol
PubChem CID66920860
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4,6-bis(hydroxymethyl)benzene-1,3-diol
SMILESOCc1cc(CO)c(O)cc1O
InChIInChI=1S/C8H10O4/c9-3-5-1-6(4-10)8(12)2-7(5)11/h1-2,9-12H,3-4H2
InChIKeyASXBFZBEXQRQLK-UHFFFAOYSA-N
XLogP0.08
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4,6-bis(hydroxymethyl)benzene-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(hydroxymethyl)benzene-1,3-diol?
The IUPAC name of 4,6-bis(hydroxymethyl)benzene-1,3-diol (CID 66920860) is 4,6-bis(hydroxymethyl)benzene-1,3-diol.
What is the SMILES notation for 4,6-bis(hydroxymethyl)benzene-1,3-diol?
The canonical SMILES for 4,6-bis(hydroxymethyl)benzene-1,3-diol is OCc1cc(CO)c(O)cc1O.
What is the InChIKey of 4,6-bis(hydroxymethyl)benzene-1,3-diol?
The InChIKey is ASXBFZBEXQRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-3-5-1-6(4-10)8(12)2-7(5)11/h1-2,9-12H,3-4H2.
What are the key properties of 4,6-bis(hydroxymethyl)benzene-1,3-diol?
4,6-bis(hydroxymethyl)benzene-1,3-diol has a molecular weight of 170.16 g/mol, XLogP of 0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(hydroxymethyl)benzene-1,3-diol is sourced from PubChem (CID 66920860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).