7-chloro-2,3-dimethyl-1-benzofuran

C10H9ClO — CID 3014241

IUPAC7-chloro-2,3-dimethyl-1-benzofuran
SMILESCc1oc2c(Cl)cccc2c1C
InChIInChI=1S/C10H9ClO/c1-6-7(2)12-10-8(6)4-3-5-9(10)11/h3-5H,1-2H3
InChIKeyPSPYLGDTNCLNDU-UHFFFAOYSA-N
MW180.63 g/mol
LogP3.70
Rot. Bonds

About 7-chloro-2,3-dimethyl-1-benzofuran

7-chloro-2,3-dimethyl-1-benzofuran (PubChem CID 3014241) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 7-chloro-2,3-dimethyl-1-benzofuran.

Molecular Properties

Compound Name7-chloro-2,3-dimethyl-1-benzofuran
PubChem CID3014241
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name7-chloro-2,3-dimethyl-1-benzofuran
SMILESCc1oc2c(Cl)cccc2c1C
InChIInChI=1S/C10H9ClO/c1-6-7(2)12-10-8(6)4-3-5-9(10)11/h3-5H,1-2H3
InChIKeyPSPYLGDTNCLNDU-UHFFFAOYSA-N
XLogP3.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-2,3-dimethyl-1-benzofuran 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 7-chloro-2,3-dimethyl-1-benzofuran?
The IUPAC name of 7-chloro-2,3-dimethyl-1-benzofuran (CID 3014241) is 7-chloro-2,3-dimethyl-1-benzofuran.
What is the SMILES notation for 7-chloro-2,3-dimethyl-1-benzofuran?
The canonical SMILES for 7-chloro-2,3-dimethyl-1-benzofuran is Cc1oc2c(Cl)cccc2c1C.
What is the InChIKey of 7-chloro-2,3-dimethyl-1-benzofuran?
The InChIKey is PSPYLGDTNCLNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c1-6-7(2)12-10-8(6)4-3-5-9(10)11/h3-5H,1-2H3.
What are the key properties of 7-chloro-2,3-dimethyl-1-benzofuran?
7-chloro-2,3-dimethyl-1-benzofuran has a molecular weight of 180.63 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dimethyl-1-benzofuran is sourced from PubChem (CID 3014241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).