2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone

C16H13BrO2 — CID 63020393

IUPAC2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H13BrO2/c17-15-3-1-2-11(6-15)7-16(18)12-4-5-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2
InChIKeyBHAAVEIFUSFTKG-UHFFFAOYSA-N
MW317.18 g/mol
LogP3.90
Rot. Bonds3

About 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone

2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone (PubChem CID 63020393) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
PubChem CID63020393
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H13BrO2/c17-15-3-1-2-11(6-15)7-16(18)12-4-5-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2
InChIKeyBHAAVEIFUSFTKG-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
CID 114974112
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
N-[1-[(3-bromophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49183473
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 82810406
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
CID 63941449
2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 79700353

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone (CID 63020393) is 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone is O=C(Cc1cccc(Br)c1)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The InChIKey is BHAAVEIFUSFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c17-15-3-1-2-11(6-15)7-16(18)12-4-5-13-9-19-10-14(13)8-12/h1-6,8H,7,9-10H2.
What are the key properties of 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone has a molecular weight of 317.18 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone is sourced from PubChem (CID 63020393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).