2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone

C10H9ClO2 — CID 93494296

IUPAC2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
SMILESO=C(CCl)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C10H9ClO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-4,10H,5-6H2/t10-/m0/s1
InChIKeySIERJJOFHQYJIA-JTQLQIEISA-N
MW196.63 g/mol
LogP1.80
Rot. Bonds2

About 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone

2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone (PubChem CID 93494296) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
PubChem CID93494296
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
SMILESO=C(CCl)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C10H9ClO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-4,10H,5-6H2/t10-/m0/s1
InChIKeySIERJJOFHQYJIA-JTQLQIEISA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
1-(2,3-dihydro-1-benzofuran-2-yl)hex-4-yn-1-one
CID 104803537
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
CID 43162766
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-[4-(chloromethyl)oxan-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106300784
N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114149349
N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114303404
N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106365967
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone (CID 93494296) is 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone is O=C(CCl)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone?
The InChIKey is SIERJJOFHQYJIA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9ClO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-4,10H,5-6H2/t10-/m0/s1.
What are the key properties of 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone?
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone has a molecular weight of 196.63 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 93494296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).