[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate

C15H9BrCl2O3 — CID 7873534

IUPAC[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H9BrCl2O3/c16-11-3-1-2-9(6-11)14(19)8-21-15(20)10-4-5-12(17)13(18)7-10/h1-7H,8H2
InChIKeyCNMULIJODUUVFN-UHFFFAOYSA-N
MW388.04 g/mol
LogP4.80
Rot. Bonds4

About [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate

[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate (PubChem CID 7873534) has the molecular formula C15H9BrCl2O3 and a molecular weight of 388.04 g/mol. Its IUPAC name is [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate
PubChem CID7873534
Molecular FormulaC15H9BrCl2O3
Molecular Weight388.04 g/mol
Exact Mass385.91
IUPAC Name[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H9BrCl2O3/c16-11-3-1-2-9(6-11)14(19)8-21-15(20)10-4-5-12(17)13(18)7-10/h1-7H,8H2
InChIKeyCNMULIJODUUVFN-UHFFFAOYSA-N
XLogP4.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.04
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-bromo-3-nitrobenzoate
CID 1332742
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 42983019
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate
CID 15702453
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 3-bromobenzoate
CID 1218403
[2-(3-bromophenyl)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2461783
[2-(3-bromophenyl)-2-oxoethyl] carbamate
CID 67555042
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-[(4-bromophenoxy)methyl]benzoate
CID 126186853
[2-(3-bromophenyl)-2-oxoethyl] propanoate
CID 174958294
2-oxopropyl 3,4-dichlorobenzoate
CID 954374
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 3553741
[2-(3-bromophenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 23912244

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate?
The IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate (CID 7873534) is [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate.
What is the SMILES notation for [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate?
The canonical SMILES for [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate is O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate?
The InChIKey is CNMULIJODUUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2O3/c16-11-3-1-2-9(6-11)14(19)8-21-15(20)10-4-5-12(17)13(18)7-10/h1-7H,8H2.
What are the key properties of [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate?
[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate has a molecular weight of 388.04 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate is sourced from PubChem (CID 7873534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).