2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid

C15H10O5 — CID 138561977

IUPAC2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid
SMILESCc1ccc2oc(-c3ccco3)c(C(=O)O)c(=O)c2c1
InChIInChI=1S/C15H10O5/c1-8-4-5-10-9(7-8)13(16)12(15(17)18)14(20-10)11-3-2-6-19-11/h2-7H,1H3,(H,17,18)
InChIKeyKEFSRTNRTGIQJU-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.06
Rot. Bonds2

About 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid

2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid (PubChem CID 138561977) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid
PubChem CID138561977
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid
SMILESCc1ccc2oc(-c3ccco3)c(C(=O)O)c(=O)c2c1
InChIInChI=1S/C15H10O5/c1-8-4-5-10-9(7-8)13(16)12(15(17)18)14(20-10)11-3-2-6-19-11/h2-7H,1H3,(H,17,18)
InChIKeyKEFSRTNRTGIQJU-UHFFFAOYSA-N
XLogP3.06
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid (CID 138561977) is 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid is Cc1ccc2oc(-c3ccco3)c(C(=O)O)c(=O)c2c1.
What is the InChIKey of 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid?
The InChIKey is KEFSRTNRTGIQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-8-4-5-10-9(7-8)13(16)12(15(17)18)14(20-10)11-3-2-6-19-11/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid?
2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid is sourced from PubChem (CID 138561977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).