1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one

C16H15BrO2 — CID 55090408

IUPAC1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO2/c1-19-16-4-2-3-13(11-16)10-15(18)9-12-5-7-14(17)8-6-12/h2-8,11H,9-10H2,1H3
InChIKeyQJXXXGHOOHURRN-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one

1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one (PubChem CID 55090408) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
PubChem CID55090408
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO2/c1-19-16-4-2-3-13(11-16)10-15(18)9-12-5-7-14(17)8-6-12/h2-8,11H,9-10H2,1H3
InChIKeyQJXXXGHOOHURRN-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 62622471
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
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1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one (CID 55090408) is 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is QJXXXGHOOHURRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-19-16-4-2-3-13(11-16)10-15(18)9-12-5-7-14(17)8-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one?
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 319.20 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 55090408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).