1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one

C16H15BrO2 — CID 83988722

IUPAC1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C16H15BrO2/c1-2-16(18)14-10-13(8-9-15(14)17)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyGYAIATHQBRWAIC-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.62
Rot. Bonds5

About 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one

1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one (PubChem CID 83988722) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
PubChem CID83988722
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C16H15BrO2/c1-2-16(18)14-10-13(8-9-15(14)17)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyGYAIATHQBRWAIC-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
CID 156880220
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
ethane;4-phenylmethoxyphthalic acid
CID 90802135
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone
CID 22897761
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one
CID 174559518
2-bromo-5-(phenoxymethyl)benzoic acid
CID 117221773

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one (CID 83988722) is 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one is CCC(=O)c1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one?
The InChIKey is GYAIATHQBRWAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-2-16(18)14-10-13(8-9-15(14)17)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one?
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one has a molecular weight of 319.20 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 83988722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).