[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate

C19H18O5 — CID 4271424

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
SMILESCOc1cccc(C(=O)COC(=O)CCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H18O5/c1-23-16-9-5-8-15(12-16)18(21)13-24-19(22)11-10-17(20)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3
InChIKeyHCBSFXQAQGDVNV-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.08
Rot. Bonds8

About [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate

[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate (PubChem CID 4271424) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
PubChem CID4271424
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
SMILESCOc1cccc(C(=O)COC(=O)CCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H18O5/c1-23-16-9-5-8-15(12-16)18(21)13-24-19(22)11-10-17(20)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3
InChIKeyHCBSFXQAQGDVNV-UHFFFAOYSA-N
XLogP3.08
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate 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

phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3850666
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4087893
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate (CID 4271424) is [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate is COc1cccc(C(=O)COC(=O)CCC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate?
The InChIKey is HCBSFXQAQGDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-23-16-9-5-8-15(12-16)18(21)13-24-19(22)11-10-17(20)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate?
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate has a molecular weight of 326.35 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate is sourced from PubChem (CID 4271424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).