[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate

C21H16O7 — CID 1218467

IUPAC[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
SMILESCOc1cccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C21H16O7/c1-25-17-5-2-4-15(12-17)20(23)27-13-18(22)14-7-9-16(10-8-14)28-21(24)19-6-3-11-26-19/h2-12H,13H2,1H3
InChIKeyVMYDYWQLZQHEBK-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.55
Rot. Bonds7

About [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate

[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate (PubChem CID 1218467) has the molecular formula C21H16O7 and a molecular weight of 380.35 g/mol. Its IUPAC name is [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
PubChem CID1218467
Molecular FormulaC21H16O7
Molecular Weight380.35 g/mol
Exact Mass380.09
IUPAC Name[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
SMILESCOc1cccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C21H16O7/c1-25-17-5-2-4-15(12-17)20(23)27-13-18(22)14-7-9-16(10-8-14)28-21(24)19-6-3-11-26-19/h2-12H,13H2,1H3
InChIKeyVMYDYWQLZQHEBK-UHFFFAOYSA-N
XLogP3.55
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate 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-acetyloxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 3549014
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[4-[2-(4-nitrobenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
CID 5219766
[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate
CID 3910563
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
[4-(2-hexa-2,4-dienoyloxyacetyl)phenyl] 3-methoxybenzoate
CID 4239385
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836843
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195
[4-[2-[5-(3-acetylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] furan-2-carboxylate
CID 3724475
[2-(3-methoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 41237601
[4-[2-[3-[(1R,2R,6R,7S,8S)-3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoyl]oxyacetyl]phenyl] furan-2-carboxylate
CID 98107004
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065160

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate (CID 1218467) is [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate is COc1cccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1.
What is the InChIKey of [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate?
The InChIKey is VMYDYWQLZQHEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O7/c1-25-17-5-2-4-15(12-17)20(23)27-13-18(22)14-7-9-16(10-8-14)28-21(24)19-6-3-11-26-19/h2-12H,13H2,1H3.
What are the key properties of [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate?
[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate has a molecular weight of 380.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 1218467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).