[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate

C19H14O6 — CID 91715138

IUPAC[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
SMILESCOc1ccc(C(=O)Oc2ccccc2OC(=O)c2ccco2)cc1
InChIInChI=1S/C19H14O6/c1-22-14-10-8-13(9-11-14)18(20)24-15-5-2-3-6-16(15)25-19(21)17-7-4-12-23-17/h2-12H,1H3
InChIKeyQDTWPFRTYHXADE-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.73
Rot. Bonds5

About [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate

[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate (PubChem CID 91715138) has the molecular formula C19H14O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
PubChem CID91715138
Molecular FormulaC19H14O6
Molecular Weight338.32 g/mol
Exact Mass338.08
IUPAC Name[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
SMILESCOc1ccc(C(=O)Oc2ccccc2OC(=O)c2ccco2)cc1
InChIInChI=1S/C19H14O6/c1-22-14-10-8-13(9-11-14)18(20)24-15-5-2-3-6-16(15)25-19(21)17-7-4-12-23-17/h2-12H,1H3
InChIKeyQDTWPFRTYHXADE-UHFFFAOYSA-N
XLogP3.73
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
CID 144750320
[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
CID 91716966
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
[4-chloro-2-[(E)-[[4-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126224283
carbon monoxide;[furan-2-yl-(4-methoxyphenoxy)methylidene]chromium
CID 134877716
(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 51205552
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999
[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
CID 91700704
naphthalen-2-yl 4-methoxybenzoate
CID 532400
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate?
The IUPAC name of [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate (CID 91715138) is [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate.
What is the SMILES notation for [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate?
The canonical SMILES for [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate is COc1ccc(C(=O)Oc2ccccc2OC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate?
The InChIKey is QDTWPFRTYHXADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6/c1-22-14-10-8-13(9-11-14)18(20)24-15-5-2-3-6-16(15)25-19(21)17-7-4-12-23-17/h2-12H,1H3.
What are the key properties of [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate?
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate is sourced from PubChem (CID 91715138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).