5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol

C11H13ClO3 — CID 89468618

IUPAC5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol
SMILESCC1(C)Oc2c(CO)cc(Cl)cc2C1O
InChIInChI=1S/C11H13ClO3/c1-11(2)10(14)8-4-7(12)3-6(5-13)9(8)15-11/h3-4,10,13-14H,5H2,1-2H3
InChIKeyJLENFEWGNYZNGZ-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.04
Rot. Bonds1

About 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol

5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol (PubChem CID 89468618) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol.

Molecular Properties

Compound Name5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol
PubChem CID89468618
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol
SMILESCC1(C)Oc2c(CO)cc(Cl)cc2C1O
InChIInChI=1S/C11H13ClO3/c1-11(2)10(14)8-4-7(12)3-6(5-13)9(8)15-11/h3-4,10,13-14H,5H2,1-2H3
InChIKeyJLENFEWGNYZNGZ-UHFFFAOYSA-N
XLogP2.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol 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 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol?
The IUPAC name of 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol (CID 89468618) is 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol.
What is the SMILES notation for 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol?
The canonical SMILES for 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol is CC1(C)Oc2c(CO)cc(Cl)cc2C1O.
What is the InChIKey of 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol?
The InChIKey is JLENFEWGNYZNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-11(2)10(14)8-4-7(12)3-6(5-13)9(8)15-11/h3-4,10,13-14H,5H2,1-2H3.
What are the key properties of 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol?
5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol has a molecular weight of 228.67 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(hydroxymethyl)-2,2-dimethyl-3H-1-benzofuran-3-ol is sourced from PubChem (CID 89468618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).