1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone

C10H10BrClO2 — CID 115565944

IUPAC1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone
SMILESCCOCC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrClO2/c1-2-14-6-10(13)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
InChIKeyFRRPNSYWPUBAAA-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.32
Rot. Bonds4

About 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone

1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone (PubChem CID 115565944) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone
PubChem CID115565944
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone
SMILESCCOCC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrClO2/c1-2-14-6-10(13)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
InChIKeyFRRPNSYWPUBAAA-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
CID 115782953
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 115565903
1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 115565854
[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid
CID 126618585
1-(3-bromo-4-chlorophenyl)-3-ethylheptan-1-one
CID 115565957
1-(3,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
CID 103489341
1-(3-bromo-4-chlorophenyl)pent-4-yn-1-one
CID 115565804
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 115566108
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethoxy)ethanone
CID 43799010

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone (CID 115565944) is 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone is CCOCC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone?
The InChIKey is FRRPNSYWPUBAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-2-14-6-10(13)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone?
1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone has a molecular weight of 277.55 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-ethoxyethanone is sourced from PubChem (CID 115565944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).