1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone

C16H15BrO2 — CID 113460846

IUPAC1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C16H15BrO2/c1-11-7-13(9-14(17)8-11)15(18)10-12-5-3-4-6-16(12)19-2/h3-9H,10H2,1-2H3
InChIKeyGRXTZXXRDZHZFZ-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.19
Rot. Bonds4

About 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone

1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone (PubChem CID 113460846) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone
PubChem CID113460846
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C16H15BrO2/c1-11-7-13(9-14(17)8-11)15(18)10-12-5-3-4-6-16(12)19-2/h3-9H,10H2,1-2H3
InChIKeyGRXTZXXRDZHZFZ-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

1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 104853112
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
2-(2-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337338
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104852020
2-(2-methoxyphenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079721
2-(2-methoxyphenyl)-1-pyridazin-4-ylethanone
CID 105082938
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152945
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 61079905
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone (CID 113460846) is 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is GRXTZXXRDZHZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-7-13(9-14(17)8-11)15(18)10-12-5-3-4-6-16(12)19-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone?
1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)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 1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 113460846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).