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

C19H17ClO5 — CID 2287702

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
SMILESCOc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClO5/c1-24-16-8-4-13(5-9-16)17(21)10-11-19(23)25-12-18(22)14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3
InChIKeyLJTJRRCIIJULPQ-UHFFFAOYSA-N
MW360.79 g/mol
LogP3.74
Rot. Bonds8

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

[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate (PubChem CID 2287702) has the molecular formula C19H17ClO5 and a molecular weight of 360.79 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
PubChem CID2287702
Molecular FormulaC19H17ClO5
Molecular Weight360.79 g/mol
Exact Mass360.08
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
SMILESCOc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClO5/c1-24-16-8-4-13(5-9-16)17(21)10-11-19(23)25-12-18(22)14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3
InChIKeyLJTJRRCIIJULPQ-UHFFFAOYSA-N
XLogP3.74
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2287210
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-methoxyphenyl)methylideneamino]oxyacetate
CID 2384762
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
2-sulfanylethyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 141375174
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579793
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)sulfonylpropanoate
CID 19646576
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
4-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-oxobutanamide
CID 90548870
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate (CID 2287702) is [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate is COc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate?
The InChIKey is LJTJRRCIIJULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO5/c1-24-16-8-4-13(5-9-16)17(21)10-11-19(23)25-12-18(22)14-2-6-15(20)7-3-14/h2-9H,10-12H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate?
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate has a molecular weight of 360.79 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate is sourced from PubChem (CID 2287702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).