2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone

C15H12BrClO3 — CID 60659477

IUPAC2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H12BrClO3/c1-19-15-7-2-10(8-13(15)17)14(18)9-20-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyPGEUAFDUUNTWSE-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.37
Rot. Bonds5

About 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone

2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone (PubChem CID 60659477) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
PubChem CID60659477
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H12BrClO3/c1-19-15-7-2-10(8-13(15)17)14(18)9-20-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3
InChIKeyPGEUAFDUUNTWSE-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43222143
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 7627379
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone
CID 7233520
2-(2-chloro-6-fluorophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 83052620
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8732609
2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone (CID 60659477) is 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)COc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone?
The InChIKey is PGEUAFDUUNTWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c1-19-15-7-2-10(8-13(15)17)14(18)9-20-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone?
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone has a molecular weight of 355.62 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 60659477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).