2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone

C17H16BrClO4 — CID 7233520

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2c(C)cc(Br)cc2Cl)cc1OC
InChIInChI=1S/C17H16BrClO4/c1-10-6-12(18)8-13(19)17(10)23-9-14(20)11-4-5-15(21-2)16(7-11)22-3/h4-8H,9H2,1-3H3
InChIKeyPWHWRZIKLUDEKE-UHFFFAOYSA-N
MW399.67 g/mol
LogP4.69
Rot. Bonds6

About 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone

2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 7233520) has the molecular formula C17H16BrClO4 and a molecular weight of 399.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID7233520
Molecular FormulaC17H16BrClO4
Molecular Weight399.67 g/mol
Exact Mass397.99
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2c(C)cc(Br)cc2Cl)cc1OC
InChIInChI=1S/C17H16BrClO4/c1-10-6-12(18)8-13(19)17(10)23-9-14(20)11-4-5-15(21-2)16(7-11)22-3/h4-8H,9H2,1-3H3
InChIKeyPWHWRZIKLUDEKE-UHFFFAOYSA-N
XLogP4.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 7233522
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567782
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 17435811
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
CID 63903259
1-(3-bromo-4-methoxyphenyl)-2-(2,6-difluorophenoxy)ethanone
CID 78908137
2-(2,4-dichloro-6-methylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 1348476
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone
CID 957478
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone (CID 7233520) is 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)COc2c(C)cc(Br)cc2Cl)cc1OC.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is PWHWRZIKLUDEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO4/c1-10-6-12(18)8-13(19)17(10)23-9-14(20)11-4-5-15(21-2)16(7-11)22-3/h4-8H,9H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone?
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 399.67 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 7233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).