1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one

C16H15BrO2 — CID 177405954

IUPAC1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrO2/c1-2-15(18)13-8-9-16(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyIKAZRROYKNREPZ-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.62
Rot. Bonds5

About 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one

1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one (PubChem CID 177405954) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
PubChem CID177405954
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrO2/c1-2-15(18)13-8-9-16(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyIKAZRROYKNREPZ-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

ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 157499209
tert-butyl 2-phenylmethoxy-4-propanoylbenzoate
CID 70815239
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
(3-bromo-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 1021094
4-[[(3-bromo-4-phenylmethoxyphenyl)methylamino]methyl]benzoic acid
CID 17158211
3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
CID 54793446
3-bromo-4-(pyridin-4-ylmethoxy)benzoic acid
CID 63050770

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one (CID 177405954) is 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one is CCC(=O)c1ccc(OCc2ccccc2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is IKAZRROYKNREPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-2-15(18)13-8-9-16(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one?
1-(3-bromo-4-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-(3-bromo-4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 177405954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).