(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone

C15H11ClO2 — CID 132502482

IUPAC(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESO=C(c1cccc(Cl)c1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C15H11ClO2/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h1-8,14H,9H2/t14-/m1/s1
InChIKeyJPYJSECXMPHARX-CQSZACIVSA-N
MW258.70 g/mol
LogP3.53
Rot. Bonds2

About (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone

(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone (PubChem CID 132502482) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
PubChem CID132502482
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESO=C(c1cccc(Cl)c1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C15H11ClO2/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h1-8,14H,9H2/t14-/m1/s1
InChIKeyJPYJSECXMPHARX-CQSZACIVSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086711
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 43339571
(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9087960
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37494142
2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone
CID 43337896
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone (CID 132502482) is (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone is O=C(c1cccc(Cl)c1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone?
The InChIKey is JPYJSECXMPHARX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h1-8,14H,9H2/t14-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone?
(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone has a molecular weight of 258.70 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 132502482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).