2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone

C15H12BrClO2 — CID 83140397

IUPAC2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
SMILESCc1cc(OCC(=O)c2ccccc2Cl)ccc1Br
InChIInChI=1S/C15H12BrClO2/c1-10-8-11(6-7-13(10)16)19-9-15(18)12-4-2-3-5-14(12)17/h2-8H,9H2,1H3
InChIKeyZSOIEEFYABBRGM-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone

2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone (PubChem CID 83140397) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
PubChem CID83140397
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
SMILESCc1cc(OCC(=O)c2ccccc2Cl)ccc1Br
InChIInChI=1S/C15H12BrClO2/c1-10-8-11(6-7-13(10)16)19-9-15(18)12-4-2-3-5-14(12)17/h2-8H,9H2,1H3
InChIKeyZSOIEEFYABBRGM-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
2-(4-bromo-3-methylphenoxy)-1-(2,6-difluorophenyl)ethanone
CID 83140068
1-(2-chlorophenyl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 43411968
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567105
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
N'-[2-(4-bromo-3-methylphenoxy)acetyl]naphthalene-1-carbohydrazide
CID 5210988
1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 22123529
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone (CID 83140397) is 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone is Cc1cc(OCC(=O)c2ccccc2Cl)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone?
The InChIKey is ZSOIEEFYABBRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-10-8-11(6-7-13(10)16)19-9-15(18)12-4-2-3-5-14(12)17/h2-8H,9H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone?
2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone has a molecular weight of 339.62 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 83140397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).