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

C17H15BrO2 — CID 65447195

IUPAC1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)CCO2)c1ccccc1Br
InChIInChI=1S/C17H15BrO2/c18-15-4-2-1-3-14(15)16(19)7-5-12-6-8-17-13(11-12)9-10-20-17/h1-4,6,8,11H,5,7,9-10H2
InChIKeyFCFPAFUVMXUNNO-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.20
Rot. Bonds4

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

1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one (PubChem CID 65447195) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
PubChem CID65447195
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)CCO2)c1ccccc1Br
InChIInChI=1S/C17H15BrO2/c18-15-4-2-1-3-14(15)16(19)7-5-12-6-8-17-13(11-12)9-10-20-17/h1-4,6,8,11H,5,7,9-10H2
InChIKeyFCFPAFUVMXUNNO-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-amino-2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116602879
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257
1-(2,5-dibromothiophen-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 107967603
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
1-(2-chloro-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65446250
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
CID 65441462
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116590101
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The IUPAC name of 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one (CID 65447195) is 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one is O=C(CCc1ccc2c(c1)CCO2)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The InChIKey is FCFPAFUVMXUNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c18-15-4-2-1-3-14(15)16(19)7-5-12-6-8-17-13(11-12)9-10-20-17/h1-4,6,8,11H,5,7,9-10H2.
What are the key properties of 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one has a molecular weight of 331.21 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one is sourced from PubChem (CID 65447195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).