2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one

C15H10BrClO2 — CID 114671437

IUPAC2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(Cl)c(Br)c2)Oc2ccccc21
InChIInChI=1S/C15H10BrClO2/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,15H,8H2
InChIKeyOCDFQAFRCAROHG-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.81
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one

2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 114671437) has the molecular formula C15H10BrClO2 and a molecular weight of 337.60 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
PubChem CID114671437
Molecular FormulaC15H10BrClO2
Molecular Weight337.60 g/mol
Exact Mass335.96
IUPAC Name2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(Cl)c(Br)c2)Oc2ccccc21
InChIInChI=1S/C15H10BrClO2/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,15H,8H2
InChIKeyOCDFQAFRCAROHG-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl] thiohypochlorite
CID 21276850
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
[3-(4-oxo-2,3-dihydrochromen-2-yl)phenyl]boronic acid
CID 71504747
6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672781
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114671510
4-[(2R)-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 25136970
2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 10084425
(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949823
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one (CID 114671437) is 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(Cl)c(Br)c2)Oc2ccccc21.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is OCDFQAFRCAROHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO2/c16-11-7-9(5-6-12(11)17)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-7,15H,8H2.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one?
2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 337.60 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114671437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).