3-(furan-2-carbonyl)-6-methylchromen-4-one

C15H10O4 — CID 776045

IUPAC3-(furan-2-carbonyl)-6-methylchromen-4-one
SMILESCc1ccc2occ(C(=O)c3ccco3)c(=O)c2c1
InChIInChI=1S/C15H10O4/c1-9-4-5-12-10(7-9)14(16)11(8-19-12)15(17)13-3-2-6-18-13/h2-8H,1H3
InChIKeyISBRYCIGIFKFLH-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.93
Rot. Bonds2

About 3-(furan-2-carbonyl)-6-methylchromen-4-one

3-(furan-2-carbonyl)-6-methylchromen-4-one (PubChem CID 776045) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-6-methylchromen-4-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-6-methylchromen-4-one
PubChem CID776045
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name3-(furan-2-carbonyl)-6-methylchromen-4-one
SMILESCc1ccc2occ(C(=O)c3ccco3)c(=O)c2c1
InChIInChI=1S/C15H10O4/c1-9-4-5-12-10(7-9)14(16)11(8-19-12)15(17)13-3-2-6-18-13/h2-8H,1H3
InChIKeyISBRYCIGIFKFLH-UHFFFAOYSA-N
XLogP2.93
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-6-methylchromen-4-one?
The IUPAC name of 3-(furan-2-carbonyl)-6-methylchromen-4-one (CID 776045) is 3-(furan-2-carbonyl)-6-methylchromen-4-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-6-methylchromen-4-one?
The canonical SMILES for 3-(furan-2-carbonyl)-6-methylchromen-4-one is Cc1ccc2occ(C(=O)c3ccco3)c(=O)c2c1.
What is the InChIKey of 3-(furan-2-carbonyl)-6-methylchromen-4-one?
The InChIKey is ISBRYCIGIFKFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c1-9-4-5-12-10(7-9)14(16)11(8-19-12)15(17)13-3-2-6-18-13/h2-8H,1H3.
What are the key properties of 3-(furan-2-carbonyl)-6-methylchromen-4-one?
3-(furan-2-carbonyl)-6-methylchromen-4-one has a molecular weight of 254.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-6-methylchromen-4-one is sourced from PubChem (CID 776045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).