2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

C17H13BrO2 — CID 114724990

IUPAC2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)Cc3ccc(Br)cc3)oc12
InChIInChI=1S/C17H13BrO2/c1-11-3-2-4-13-10-16(20-17(11)13)15(19)9-12-5-7-14(18)8-6-12/h2-8,10H,9H2,1H3
InChIKeyCVPBRRZRRCYBAY-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.93
Rot. Bonds3

About 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 114724990) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
PubChem CID114724990
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)Cc3ccc(Br)cc3)oc12
InChIInChI=1S/C17H13BrO2/c1-11-3-2-4-13-10-16(20-17(11)13)15(19)9-12-5-7-14(18)8-6-12/h2-8,10H,9H2,1H3
InChIKeyCVPBRRZRRCYBAY-UHFFFAOYSA-N
XLogP4.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725776
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
CID 105078433
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105132029
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (CID 114724990) is 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is Cc1cccc2cc(C(=O)Cc3ccc(Br)cc3)oc12.
What is the InChIKey of 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is CVPBRRZRRCYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c1-11-3-2-4-13-10-16(20-17(11)13)15(19)9-12-5-7-14(18)8-6-12/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 329.19 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114724990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).