3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one

C23H15BrO4 — CID 86225439

IUPAC3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(C(=O)c3ccccc3)c(-c3ccccc3Br)oc2c1
InChIInChI=1S/C23H15BrO4/c1-27-15-11-12-17-19(13-15)28-23(16-9-5-6-10-18(16)24)20(22(17)26)21(25)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyVJPSQCBQBWBPBR-UHFFFAOYSA-N
MW435.27 g/mol
LogP5.46
Rot. Bonds4

About 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one

3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one (PubChem CID 86225439) has the molecular formula C23H15BrO4 and a molecular weight of 435.27 g/mol. Its IUPAC name is 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one
PubChem CID86225439
Molecular FormulaC23H15BrO4
Molecular Weight435.27 g/mol
Exact Mass434.02
IUPAC Name3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(C(=O)c3ccccc3)c(-c3ccccc3Br)oc2c1
InChIInChI=1S/C23H15BrO4/c1-27-15-11-12-17-19(13-15)28-23(16-9-5-6-10-18(16)24)20(22(17)26)21(25)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyVJPSQCBQBWBPBR-UHFFFAOYSA-N
XLogP5.46
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.27
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxyphenyl)-[6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 67680881
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
3-benzoyl-6-methoxychromen-4-one
CID 747889
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 90272615
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one
CID 11440255
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257
2-(2-bromophenyl)-3-[(2-bromo-3-pyridinyl)methyl]-7-(2-hydroxyethoxy)chromen-4-one
CID 132573210
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one?
The IUPAC name of 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one (CID 86225439) is 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one?
The canonical SMILES for 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one is COc1ccc2c(=O)c(C(=O)c3ccccc3)c(-c3ccccc3Br)oc2c1.
What is the InChIKey of 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one?
The InChIKey is VJPSQCBQBWBPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrO4/c1-27-15-11-12-17-19(13-15)28-23(16-9-5-6-10-18(16)24)20(22(17)26)21(25)14-7-3-2-4-8-14/h2-13H,1H3.
What are the key properties of 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one?
3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one has a molecular weight of 435.27 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2-(2-bromophenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 86225439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).