2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone

C16H15BrO2 — CID 61055896

IUPAC2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(Br)cc2)ccc1C
InChIInChI=1S/C16H15BrO2/c1-11-3-6-13(10-16(11)19-2)15(18)9-12-4-7-14(17)8-5-12/h3-8,10H,9H2,1-2H3
InChIKeyIZCRHZPSNDXVDJ-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone

2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone (PubChem CID 61055896) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
PubChem CID61055896
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(Br)cc2)ccc1C
InChIInChI=1S/C16H15BrO2/c1-11-3-6-13(10-16(11)19-2)15(18)9-12-4-7-14(17)8-5-12/h3-8,10H,9H2,1-2H3
InChIKeyIZCRHZPSNDXVDJ-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114974195
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299177
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone (CID 61055896) is 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone is COc1cc(C(=O)Cc2ccc(Br)cc2)ccc1C.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone?
The InChIKey is IZCRHZPSNDXVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-3-6-13(10-16(11)19-2)15(18)9-12-4-7-14(17)8-5-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone?
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone has a molecular weight of 319.20 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 61055896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).