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

C10H9ClO2 — CID 25002538

IUPAC2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
SMILESO=C(CCl)c1cccc2c1OCC2
InChIInChI=1S/C10H9ClO2/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-3H,4-6H2
InChIKeyJAUAFGSWHSPTCJ-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.04
Rot. Bonds2

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

2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone (PubChem CID 25002538) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
PubChem CID25002538
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
SMILESO=C(CCl)c1cccc2c1OCC2
InChIInChI=1S/C10H9ClO2/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-3H,4-6H2
InChIKeyJAUAFGSWHSPTCJ-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone 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-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
2-[1-(aminomethyl)cyclobutyl]-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114748033
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone
CID 114744367
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
CID 105135051
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
CID 105135090
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone?
The IUPAC name of 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone (CID 25002538) is 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone?
The canonical SMILES for 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone is O=C(CCl)c1cccc2c1OCC2.
What is the InChIKey of 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone?
The InChIKey is JAUAFGSWHSPTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-3H,4-6H2.
What are the key properties of 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone?
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone has a molecular weight of 196.63 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone is sourced from PubChem (CID 25002538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).