(3-formylphenyl) furan-2-carboxylate

C12H8O4 — CID 565183

IUPAC(3-formylphenyl) furan-2-carboxylate
SMILESO=Cc1cccc(OC(=O)c2ccco2)c1
InChIInChI=1S/C12H8O4/c13-8-9-3-1-4-10(7-9)16-12(14)11-5-2-6-15-11/h1-8H
InChIKeyRYAKMEKANPHRLV-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.31
Rot. Bonds3

About (3-formylphenyl) furan-2-carboxylate

(3-formylphenyl) furan-2-carboxylate (PubChem CID 565183) has the molecular formula C12H8O4 and a molecular weight of 216.19 g/mol. Its IUPAC name is (3-formylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(3-formylphenyl) furan-2-carboxylate
PubChem CID565183
Molecular FormulaC12H8O4
Molecular Weight216.19 g/mol
Exact Mass216.04
IUPAC Name(3-formylphenyl) furan-2-carboxylate
SMILESO=Cc1cccc(OC(=O)c2ccco2)c1
InChIInChI=1S/C12H8O4/c13-8-9-3-1-4-10(7-9)16-12(14)11-5-2-6-15-11/h1-8H
InChIKeyRYAKMEKANPHRLV-UHFFFAOYSA-N
XLogP2.31
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-formylphenyl) oxalate
CID 10968521
[3-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenyl] furan-2-carboxylate
CID 39115414
(3-formylphenyl) 4-methylbenzoate
CID 807171
(2-ethoxy-4-formylphenyl) furan-2-carboxylate
CID 672303
[3-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 1368799
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
(3-formylphenyl) 4-propan-2-yloxybenzoate
CID 23011947
[3-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 46502107
(3-formylphenyl) 3,4-dimethoxybenzoate
CID 40560630
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
[3-[(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 5151856
[3-[(Z)-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] furan-2-carboxylate
CID 2181175

Frequently Asked Questions

What is the IUPAC name of (3-formylphenyl) furan-2-carboxylate?
The IUPAC name of (3-formylphenyl) furan-2-carboxylate (CID 565183) is (3-formylphenyl) furan-2-carboxylate.
What is the SMILES notation for (3-formylphenyl) furan-2-carboxylate?
The canonical SMILES for (3-formylphenyl) furan-2-carboxylate is O=Cc1cccc(OC(=O)c2ccco2)c1.
What is the InChIKey of (3-formylphenyl) furan-2-carboxylate?
The InChIKey is RYAKMEKANPHRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4/c13-8-9-3-1-4-10(7-9)16-12(14)11-5-2-6-15-11/h1-8H.
What are the key properties of (3-formylphenyl) furan-2-carboxylate?
(3-formylphenyl) furan-2-carboxylate has a molecular weight of 216.19 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formylphenyl) furan-2-carboxylate is sourced from PubChem (CID 565183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).