3,3-dibromo-1,3-diphenylpropan-1-one

C15H12Br2O — CID 175272967

IUPAC3,3-dibromo-1,3-diphenylpropan-1-one
SMILESO=C(CC(Br)(Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12Br2O/c16-15(17,13-9-5-2-6-10-13)11-14(18)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyGWEPCOYMVAAWBJ-UHFFFAOYSA-N
MW368.07 g/mol
LogP4.90
Rot. Bonds4

About 3,3-dibromo-1,3-diphenylpropan-1-one

3,3-dibromo-1,3-diphenylpropan-1-one (PubChem CID 175272967) has the molecular formula C15H12Br2O and a molecular weight of 368.07 g/mol. Its IUPAC name is 3,3-dibromo-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3,3-dibromo-1,3-diphenylpropan-1-one
PubChem CID175272967
Molecular FormulaC15H12Br2O
Molecular Weight368.07 g/mol
Exact Mass365.93
IUPAC Name3,3-dibromo-1,3-diphenylpropan-1-one
SMILESO=C(CC(Br)(Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12Br2O/c16-15(17,13-9-5-2-6-10-13)11-14(18)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyGWEPCOYMVAAWBJ-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 54.90
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

2-phenacyl-2-phenylpropanedial
CID 175444896
3,6,6-trimethyl-1,3-diphenylheptan-1-one
CID 102429461
(3R)-3-methyl-1,3-diphenylpentan-1-one
CID 102205590
2-bromo-2,3-dihydroxy-3-phenacylbutanedioic acid
CID 150599938
3-amino-3-hydroxy-1-phenylbutan-1-one
CID 141444107
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
(2S)-4-oxo-2,4-diphenyl-2-(trifluoromethyl)butanenitrile
CID 102346250
2-phenacyloxy-1-phenylethanone
CID 12781821
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
4-chloro-3,3,4-trimethyl-1-phenylpentan-1-one
CID 20642468
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707

Frequently Asked Questions

What is the IUPAC name of 3,3-dibromo-1,3-diphenylpropan-1-one?
The IUPAC name of 3,3-dibromo-1,3-diphenylpropan-1-one (CID 175272967) is 3,3-dibromo-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3,3-dibromo-1,3-diphenylpropan-1-one?
The canonical SMILES for 3,3-dibromo-1,3-diphenylpropan-1-one is O=C(CC(Br)(Br)c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-dibromo-1,3-diphenylpropan-1-one?
The InChIKey is GWEPCOYMVAAWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O/c16-15(17,13-9-5-2-6-10-13)11-14(18)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 3,3-dibromo-1,3-diphenylpropan-1-one?
3,3-dibromo-1,3-diphenylpropan-1-one has a molecular weight of 368.07 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromo-1,3-diphenylpropan-1-one is sourced from PubChem (CID 175272967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).