[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

C19H16BrClO5 — CID 2287210

IUPAC[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESCOc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C19H16BrClO5/c1-25-18-8-4-13(10-15(18)20)17(23)11-26-19(24)9-7-16(22)12-2-5-14(21)6-3-12/h2-6,8,10H,7,9,11H2,1H3
InChIKeyFCYKSEJPPBBVED-UHFFFAOYSA-N
MW439.69 g/mol
LogP4.50
Rot. Bonds8

About [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 2287210) has the molecular formula C19H16BrClO5 and a molecular weight of 439.69 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID2287210
Molecular FormulaC19H16BrClO5
Molecular Weight439.69 g/mol
Exact Mass437.99
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESCOc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C19H16BrClO5/c1-25-18-8-4-13(10-15(18)20)17(23)11-26-19(24)9-7-16(22)12-2-5-14(21)6-3-12/h2-6,8,10H,7,9,11H2,1H3
InChIKeyFCYKSEJPPBBVED-UHFFFAOYSA-N
XLogP4.50
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.69
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 33340979
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 55406579
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
4-(3-bromo-4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 94311085
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-ethylbenzoate
CID 16525161
1-(3-bromo-4-methoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970106
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
[2-(4-chlorophenyl)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 3269803
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (CID 2287210) is [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is COc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is FCYKSEJPPBBVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClO5/c1-25-18-8-4-13(10-15(18)20)17(23)11-26-19(24)9-7-16(22)12-2-5-14(21)6-3-12/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 439.69 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2287210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).