2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone

C16H14BrClO2 — CID 63567782

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C16H14BrClO2/c1-10-5-3-4-6-13(10)15(19)9-20-16-11(2)7-12(17)8-14(16)18/h3-8H,9H2,1-2H3
InChIKeyRDBRCQSQXMKOJX-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.98
Rot. Bonds4

About 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone

2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone (PubChem CID 63567782) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
PubChem CID63567782
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COc1c(C)cc(Br)cc1Cl
InChIInChI=1S/C16H14BrClO2/c1-10-5-3-4-6-13(10)15(19)9-20-16-11(2)7-12(17)8-14(16)18/h3-8H,9H2,1-2H3
InChIKeyRDBRCQSQXMKOJX-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 7233534
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 7233537
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone
CID 7233520
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-cyclopropylethanone
CID 63903259
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567105
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 17435811
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone (CID 63567782) is 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)COc1c(C)cc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone?
The InChIKey is RDBRCQSQXMKOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-10-5-3-4-6-13(10)15(19)9-20-16-11(2)7-12(17)8-14(16)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone?
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone has a molecular weight of 353.64 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 63567782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).