(2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one

C15H10Br2Cl2O — CID 98068965

IUPAC(2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
SMILESO=C(c1ccc(Cl)c(Cl)c1)[C@@H](Br)[C@@H](Br)c1ccccc1
InChIInChI=1S/C15H10Br2Cl2O/c16-13(9-4-2-1-3-5-9)14(17)15(20)10-6-7-11(18)12(19)8-10/h1-8,13-14H/t13-,14-/m0/s1
InChIKeyFMEOILDGUINWIW-KBPBESRZSA-N
MW436.96 g/mol
LogP6.08
Rot. Bonds4

About (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one

(2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one (PubChem CID 98068965) has the molecular formula C15H10Br2Cl2O and a molecular weight of 436.96 g/mol. Its IUPAC name is (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
PubChem CID98068965
Molecular FormulaC15H10Br2Cl2O
Molecular Weight436.96 g/mol
Exact Mass433.85
IUPAC Name(2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
SMILESO=C(c1ccc(Cl)c(Cl)c1)[C@@H](Br)[C@@H](Br)c1ccccc1
InChIInChI=1S/C15H10Br2Cl2O/c16-13(9-4-2-1-3-5-9)14(17)15(20)10-6-7-11(18)12(19)8-10/h1-8,13-14H/t13-,14-/m0/s1
InChIKeyFMEOILDGUINWIW-KBPBESRZSA-N
XLogP6.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-chloro-2-phenylethanone
CID 107988714
(2S,3S)-2,3-dibromo-1,3-bis(4-methylphenyl)propan-1-one
CID 100994728
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 68768648
(2R)-2-cyano-3-(3,4-dichlorophenyl)-3-oxo-N-phenylpropanamide
CID 98450152
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239
(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one
CID 131847113
1,4-bis(4-bromophenyl)-2,3-diphenylbutane-1,4-dione
CID 134852094
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate;hydrochloride
CID 68768647
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one
CID 10895225
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one?
The IUPAC name of (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one (CID 98068965) is (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one.
What is the SMILES notation for (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one?
The canonical SMILES for (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one is O=C(c1ccc(Cl)c(Cl)c1)[C@@H](Br)[C@@H](Br)c1ccccc1.
What is the InChIKey of (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one?
The InChIKey is FMEOILDGUINWIW-KBPBESRZSA-N. The full InChI is InChI=1S/C15H10Br2Cl2O/c16-13(9-4-2-1-3-5-9)14(17)15(20)10-6-7-11(18)12(19)8-10/h1-8,13-14H/t13-,14-/m0/s1.
What are the key properties of (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one?
(2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one has a molecular weight of 436.96 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dibromo-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 98068965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).