4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol

C12H16O4 — CID 66744036

IUPAC4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol
SMILESOCC1CC(c2ccc(O)cc2O)CCO1
InChIInChI=1S/C12H16O4/c13-7-10-5-8(3-4-16-10)11-2-1-9(14)6-12(11)15/h1-2,6,8,10,13-15H,3-5,7H2
InChIKeyQGYMYVRDPXLDMQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds2

About 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol

4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol (PubChem CID 66744036) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol
PubChem CID66744036
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol
SMILESOCC1CC(c2ccc(O)cc2O)CCO1
InChIInChI=1S/C12H16O4/c13-7-10-5-8(3-4-16-10)11-2-1-9(14)6-12(11)15/h1-2,6,8,10,13-15H,3-5,7H2
InChIKeyQGYMYVRDPXLDMQ-UHFFFAOYSA-N
XLogP1.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-(hydroxymethyl)oxan-4-yl]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-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol (CID 66744036) is 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol is OCC1CC(c2ccc(O)cc2O)CCO1.
What is the InChIKey of 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol?
The InChIKey is QGYMYVRDPXLDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c13-7-10-5-8(3-4-16-10)11-2-1-9(14)6-12(11)15/h1-2,6,8,10,13-15H,3-5,7H2.
What are the key properties of 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol?
4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol has a molecular weight of 224.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)oxan-4-yl]benzene-1,3-diol is sourced from PubChem (CID 66744036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).