3-(furan-2-yl)-7,8-dihydroxychromen-2-one

C13H8O5 — CID 23371929

IUPAC3-(furan-2-yl)-7,8-dihydroxychromen-2-one
SMILESO=c1oc2c(O)c(O)ccc2cc1-c1ccco1
InChIInChI=1S/C13H8O5/c14-9-4-3-7-6-8(10-2-1-5-17-10)13(16)18-12(7)11(9)15/h1-6,14-15H
InChIKeyOWSXMBLUXZSUKG-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.46
Rot. Bonds1

About 3-(furan-2-yl)-7,8-dihydroxychromen-2-one

3-(furan-2-yl)-7,8-dihydroxychromen-2-one (PubChem CID 23371929) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is 3-(furan-2-yl)-7,8-dihydroxychromen-2-one.

Molecular Properties

Compound Name3-(furan-2-yl)-7,8-dihydroxychromen-2-one
PubChem CID23371929
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name3-(furan-2-yl)-7,8-dihydroxychromen-2-one
SMILESO=c1oc2c(O)c(O)ccc2cc1-c1ccco1
InChIInChI=1S/C13H8O5/c14-9-4-3-7-6-8(10-2-1-5-17-10)13(16)18-12(7)11(9)15/h1-6,14-15H
InChIKeyOWSXMBLUXZSUKG-UHFFFAOYSA-N
XLogP2.46
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-7,8-dihydroxychromen-2-one?
The IUPAC name of 3-(furan-2-yl)-7,8-dihydroxychromen-2-one (CID 23371929) is 3-(furan-2-yl)-7,8-dihydroxychromen-2-one.
What is the SMILES notation for 3-(furan-2-yl)-7,8-dihydroxychromen-2-one?
The canonical SMILES for 3-(furan-2-yl)-7,8-dihydroxychromen-2-one is O=c1oc2c(O)c(O)ccc2cc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-7,8-dihydroxychromen-2-one?
The InChIKey is OWSXMBLUXZSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c14-9-4-3-7-6-8(10-2-1-5-17-10)13(16)18-12(7)11(9)15/h1-6,14-15H.
What are the key properties of 3-(furan-2-yl)-7,8-dihydroxychromen-2-one?
3-(furan-2-yl)-7,8-dihydroxychromen-2-one has a molecular weight of 244.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-7,8-dihydroxychromen-2-one is sourced from PubChem (CID 23371929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).