1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone

C15H12BrClO2 — CID 62673255

IUPAC1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2ccccc2Br)c(Cl)c1
InChIInChI=1S/C15H12BrClO2/c1-10-6-7-15(13(17)8-10)19-9-14(18)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3
InChIKeyWWWVUIHDNFJJQP-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.67
Rot. Bonds4

About 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone

1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone (PubChem CID 62673255) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
PubChem CID62673255
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2ccccc2Br)c(Cl)c1
InChIInChI=1S/C15H12BrClO2/c1-10-6-7-15(13(17)8-10)19-9-14(18)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3
InChIKeyWWWVUIHDNFJJQP-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-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
1-(2-bromophenyl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 60657012
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
CID 63568169
[2-(2-bromophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2345743
1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63649687
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
3-chloro-4-[2-(2-methylphenyl)-2-oxoethoxy]benzonitrile
CID 60971514
(2,5-dimethylphenyl) 2-(4-bromo-2-chlorophenoxy)acetate
CID 23011161

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone (CID 62673255) is 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)c2ccccc2Br)c(Cl)c1.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone?
The InChIKey is WWWVUIHDNFJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-10-6-7-15(13(17)8-10)19-9-14(18)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone?
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)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 1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone is sourced from PubChem (CID 62673255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).