(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C15H10BrClO2 — CID 114025606

IUPAC(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Br)c1cccc2c1OCC2
InChIInChI=1S/C15H10BrClO2/c16-13-8-10(17)4-5-11(13)14(18)12-3-1-2-9-6-7-19-15(9)12/h1-5,8H,6-7H2
InChIKeyIONYLVJKWPSHND-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.27
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 114025606) has the molecular formula C15H10BrClO2 and a molecular weight of 337.60 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID114025606
Molecular FormulaC15H10BrClO2
Molecular Weight337.60 g/mol
Exact Mass335.96
IUPAC Name(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Br)c1cccc2c1OCC2
InChIInChI=1S/C15H10BrClO2/c16-13-8-10(17)4-5-11(13)14(18)12-3-1-2-9-6-7-19-15(9)12/h1-5,8H,6-7H2
InChIKeyIONYLVJKWPSHND-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
(2-bromo-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814281
(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107967846
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744119
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 114025606) is (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1ccc(Cl)cc1Br)c1cccc2c1OCC2.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is IONYLVJKWPSHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO2/c16-13-8-10(17)4-5-11(13)14(18)12-3-1-2-9-6-7-19-15(9)12/h1-5,8H,6-7H2.
What are the key properties of (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 337.60 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 114025606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).