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

C16H15BrO2 — CID 106790334

IUPAC2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H15BrO2/c1-11-6-7-14(16(8-11)19-2)15(18)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyKPTOIRQECPUJFZ-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.19
Rot. Bonds4

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

2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 106790334) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID106790334
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H15BrO2/c1-11-6-7-14(16(8-11)19-2)15(18)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyKPTOIRQECPUJFZ-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-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790005
2-(3-bromophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462426
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone (CID 106790334) is 2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is KPTOIRQECPUJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-6-7-14(16(8-11)19-2)15(18)10-12-4-3-5-13(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone?
2-(3-bromophenyl)-1-(2-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-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 106790334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).