1,4-Benzodioxan-2-methanol, 6,7-dichloro-

C9H8Cl2O3 — CID 16563

About 1,4-Benzodioxan-2-methanol, 6,7-dichloro-

1,4-Benzodioxan-2-methanol, 6,7-dichloro- (PubChem CID 16563) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.06 g/mol. Its IUPAC name is (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol.

Molecular Properties

Compound Name1,4-Benzodioxan-2-methanol, 6,7-dichloro-
PubChem CID16563
Molecular FormulaC9H8Cl2O3
Molecular Weight235.06 g/mol
Exact Mass233.99
IUPAC Name(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESC1C(OC2=CC(=C(C=C2O1)Cl)Cl)CO
InChIKeyYSKZPQPJOWLVSP-UHFFFAOYSA-N
XLogP2.30
TPSA38.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity202

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-Benzodioxan-2-methanol, 6,7-dichloro- with MolForge

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

Launch Full Analysis