(3S)-5-bromo-1,3-diphenylpentan-2-one

C17H17BrO — CID 6932716

IUPAC(3S)-5-bromo-1,3-diphenylpentan-2-one
SMILESO=C(Cc1ccccc1)[C@@H](CCBr)c1ccccc1
InChIInChI=1S/C17H17BrO/c18-12-11-16(15-9-5-2-6-10-15)17(19)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyOCGJLFHDCCWOBR-INIZCTEOSA-N
MW317.23 g/mol
LogP4.37
Rot. Bonds6

About (3S)-5-bromo-1,3-diphenylpentan-2-one

(3S)-5-bromo-1,3-diphenylpentan-2-one (PubChem CID 6932716) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (3S)-5-bromo-1,3-diphenylpentan-2-one.

Molecular Properties

Compound Name(3S)-5-bromo-1,3-diphenylpentan-2-one
PubChem CID6932716
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(3S)-5-bromo-1,3-diphenylpentan-2-one
SMILESO=C(Cc1ccccc1)[C@@H](CCBr)c1ccccc1
InChIInChI=1S/C17H17BrO/c18-12-11-16(15-9-5-2-6-10-15)17(19)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyOCGJLFHDCCWOBR-INIZCTEOSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.37
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

(3S)-4-nitro-1,3-diphenylbutan-2-one
CID 163572422
(3S,6R)-1,3,6,8-tetraphenyloctane-2,4,5,7-tetrone
CID 124578428
4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
CID 116567147
5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid
CID 19982758
4-bromo-2-[(2-phenylacetyl)amino]butanoic acid
CID 141320981
1-(benzenesulfonyl)-6-bromo-3-phenylhexan-2-one
CID 71398683
2-hydroxy-3-oxo-4-phenylbutanoic acid
CID 151330520
(2S)-2,3-diphenylpropanoic acid
CID 737125
(2S)-2,5-diphenylpentanoic acid
CID 7054365
7-aminosulfanyl-1-bromo-3-phenylheptan-2-one
CID 174252665
1-hydroxy-1-(4-methylphenyl)-3-phenylpropan-2-one
CID 3414619
3-iodo-1-phenylhexan-2-one
CID 10990286

Frequently Asked Questions

What is the IUPAC name of (3S)-5-bromo-1,3-diphenylpentan-2-one?
The IUPAC name of (3S)-5-bromo-1,3-diphenylpentan-2-one (CID 6932716) is (3S)-5-bromo-1,3-diphenylpentan-2-one.
What is the SMILES notation for (3S)-5-bromo-1,3-diphenylpentan-2-one?
The canonical SMILES for (3S)-5-bromo-1,3-diphenylpentan-2-one is O=C(Cc1ccccc1)[C@@H](CCBr)c1ccccc1.
What is the InChIKey of (3S)-5-bromo-1,3-diphenylpentan-2-one?
The InChIKey is OCGJLFHDCCWOBR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17BrO/c18-12-11-16(15-9-5-2-6-10-15)17(19)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1.
What are the key properties of (3S)-5-bromo-1,3-diphenylpentan-2-one?
(3S)-5-bromo-1,3-diphenylpentan-2-one has a molecular weight of 317.23 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-bromo-1,3-diphenylpentan-2-one is sourced from PubChem (CID 6932716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).