(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one

C15H13BrO2 — CID 131847113

IUPAC(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](O)[C@@H](Br)c1ccccc1
InChIInChI=1S/C15H13BrO2/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,13,15,18H/t13-,15+/m0/s1
InChIKeyBLGHKLOMIPJEOU-DZGCQCFKSA-N
MW305.17 g/mol
LogP3.37
Rot. Bonds4

About (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one

(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one (PubChem CID 131847113) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one
PubChem CID131847113
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](O)[C@@H](Br)c1ccccc1
InChIInChI=1S/C15H13BrO2/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,13,15,18H/t13-,15+/m0/s1
InChIKeyBLGHKLOMIPJEOU-DZGCQCFKSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1,2-diphenylethanone
CID 159399559
2,3,4,4-tetrahydroxy-1-phenylbutan-1-one
CID 66852156
4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one
CID 20709916
(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
CID 134968055
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2,3-dibromo-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 11974529
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
CID 46221169
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
2-bromo-1,3,5-triphenylpentane-1,5-dione
CID 13250146

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one?
The IUPAC name of (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one (CID 131847113) is (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one.
What is the SMILES notation for (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one?
The canonical SMILES for (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one is O=C(c1ccccc1)[C@H](O)[C@@H](Br)c1ccccc1.
What is the InChIKey of (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one?
The InChIKey is BLGHKLOMIPJEOU-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H13BrO2/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,13,15,18H/t13-,15+/m0/s1.
What are the key properties of (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one?
(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one has a molecular weight of 305.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one is sourced from PubChem (CID 131847113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).