phenacyl furan-2-carboxylate

C13H10O4 — CID 765658

IUPACphenacyl furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C13H10O4/c14-11(10-5-2-1-3-6-10)9-17-13(15)12-7-4-8-16-12/h1-8H,9H2
InChIKeyLQIHFTAJSUTWLW-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.32
Rot. Bonds4

About phenacyl furan-2-carboxylate

phenacyl furan-2-carboxylate (PubChem CID 765658) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is phenacyl furan-2-carboxylate.

Molecular Properties

Compound Namephenacyl furan-2-carboxylate
PubChem CID765658
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Namephenacyl furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C13H10O4/c14-11(10-5-2-1-3-6-10)9-17-13(15)12-7-4-8-16-12/h1-8H,9H2
InChIKeyLQIHFTAJSUTWLW-UHFFFAOYSA-N
XLogP2.32
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenacyl 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

Frequently Asked Questions

What is the IUPAC name of phenacyl furan-2-carboxylate?
The IUPAC name of phenacyl furan-2-carboxylate (CID 765658) is phenacyl furan-2-carboxylate.
What is the SMILES notation for phenacyl furan-2-carboxylate?
The canonical SMILES for phenacyl furan-2-carboxylate is O=C(COC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of phenacyl furan-2-carboxylate?
The InChIKey is LQIHFTAJSUTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-11(10-5-2-1-3-6-10)9-17-13(15)12-7-4-8-16-12/h1-8H,9H2.
What are the key properties of phenacyl furan-2-carboxylate?
phenacyl furan-2-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl furan-2-carboxylate is sourced from PubChem (CID 765658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).