(2-oxochromen-4-yl) furan-2-carboxylate

C14H8O5 — CID 664894

IUPAC(2-oxochromen-4-yl) furan-2-carboxylate
SMILESO=C(Oc1cc(=O)oc2ccccc12)c1ccco1
InChIInChI=1S/C14H8O5/c15-13-8-12(9-4-1-2-5-10(9)18-13)19-14(16)11-6-3-7-17-11/h1-8H
InChIKeyNIEDYTWLFPDQGF-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.61
Rot. Bonds2

About (2-oxochromen-4-yl) furan-2-carboxylate

(2-oxochromen-4-yl) furan-2-carboxylate (PubChem CID 664894) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is (2-oxochromen-4-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-oxochromen-4-yl) furan-2-carboxylate
PubChem CID664894
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name(2-oxochromen-4-yl) furan-2-carboxylate
SMILESO=C(Oc1cc(=O)oc2ccccc12)c1ccco1
InChIInChI=1S/C14H8O5/c15-13-8-12(9-4-1-2-5-10(9)18-13)19-14(16)11-6-3-7-17-11/h1-8H
InChIKeyNIEDYTWLFPDQGF-UHFFFAOYSA-N
XLogP2.61
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-4-yl) furan-2-carboxylate?
The IUPAC name of (2-oxochromen-4-yl) furan-2-carboxylate (CID 664894) is (2-oxochromen-4-yl) furan-2-carboxylate.
What is the SMILES notation for (2-oxochromen-4-yl) furan-2-carboxylate?
The canonical SMILES for (2-oxochromen-4-yl) furan-2-carboxylate is O=C(Oc1cc(=O)oc2ccccc12)c1ccco1.
What is the InChIKey of (2-oxochromen-4-yl) furan-2-carboxylate?
The InChIKey is NIEDYTWLFPDQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c15-13-8-12(9-4-1-2-5-10(9)18-13)19-14(16)11-6-3-7-17-11/h1-8H.
What are the key properties of (2-oxochromen-4-yl) furan-2-carboxylate?
(2-oxochromen-4-yl) furan-2-carboxylate has a molecular weight of 256.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-4-yl) furan-2-carboxylate is sourced from PubChem (CID 664894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).