1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one

C12H13ClO2 — CID 165456204

IUPAC1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1Cc2cccc(Cl)c2O1
InChIInChI=1S/C12H13ClO2/c1-7(2)11(14)10-6-8-4-3-5-9(13)12(8)15-10/h3-5,7,10H,6H2,1-2H3
InChIKeyAQKZKUOCIOQOFY-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.87
Rot. Bonds2

About 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one

1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one (PubChem CID 165456204) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
PubChem CID165456204
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1Cc2cccc(Cl)c2O1
InChIInChI=1S/C12H13ClO2/c1-7(2)11(14)10-6-8-4-3-5-9(13)12(8)15-10/h3-5,7,10H,6H2,1-2H3
InChIKeyAQKZKUOCIOQOFY-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-chloro-7-methyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 165456202
1-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 165456687
1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-one
CID 165451462
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one
CID 178126498
7-fluoro-N-(4-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111480596
tert-butyl 7-fluoro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 135394558
7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 83397186
(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25010624
[(2S)-7-(2,6-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 129394986
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110004473
5,8-dichloro-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 91622792

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one (CID 165456204) is 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one is CC(C)C(=O)C1Cc2cccc(Cl)c2O1.
What is the InChIKey of 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one?
The InChIKey is AQKZKUOCIOQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-7(2)11(14)10-6-8-4-3-5-9(13)12(8)15-10/h3-5,7,10H,6H2,1-2H3.
What are the key properties of 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one?
1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one has a molecular weight of 224.69 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 165456204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).