2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one

C16H14BrClO2 — CID 82826755

IUPAC2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one
SMILESCC(OCc1ccc(Br)cc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClO2/c1-11(16(19)13-3-2-4-15(18)9-13)20-10-12-5-7-14(17)8-6-12/h2-9,11H,10H2,1H3
InChIKeyKCANZKAVKNXMKQ-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.89
Rot. Bonds5

About 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one

2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one (PubChem CID 82826755) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one
PubChem CID82826755
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one
SMILESCC(OCc1ccc(Br)cc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClO2/c1-11(16(19)13-3-2-4-15(18)9-13)20-10-12-5-7-14(17)8-6-12/h2-9,11H,10H2,1H3
InChIKeyKCANZKAVKNXMKQ-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
1-(3-chlorophenyl)-2-(oxiran-2-ylmethoxy)propan-1-one
CID 57235151
1-(3-chlorophenyl)-2-(4,4,4-trifluorobutoxy)propan-1-one
CID 82787950
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
CID 43798313
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
1-(3-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-one
CID 66277629
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-one
CID 62052677
1-(3-chlorophenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412974
3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one
CID 102190330
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one (CID 82826755) is 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one is CC(OCc1ccc(Br)cc1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one?
The InChIKey is KCANZKAVKNXMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-11(16(19)13-3-2-4-15(18)9-13)20-10-12-5-7-14(17)8-6-12/h2-9,11H,10H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one?
2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one has a molecular weight of 353.64 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one is sourced from PubChem (CID 82826755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).