8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one

C15H10O5 — CID 45104609

IUPAC8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(C(=O)c3ccco3)c(O)ccc12
InChIInChI=1S/C15H10O5/c1-8-7-12(17)20-15-9(8)4-5-10(16)13(15)14(18)11-3-2-6-19-11/h2-7,16H,1H3
InChIKeyAOQWFOFUEKMYRH-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.63
Rot. Bonds2

About 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one

8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one (PubChem CID 45104609) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one
PubChem CID45104609
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(C(=O)c3ccco3)c(O)ccc12
InChIInChI=1S/C15H10O5/c1-8-7-12(17)20-15-9(8)4-5-10(16)13(15)14(18)11-3-2-6-19-11/h2-7,16H,1H3
InChIKeyAOQWFOFUEKMYRH-UHFFFAOYSA-N
XLogP2.63
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-4-methyl-8-(3-methylbenzoyl)chromen-2-one
CID 45104722
8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one
CID 6073975
2-(7-hydroxy-4-methyl-2-oxochromen-8-yl)-2-oxoacetic acid
CID 175599461
8-(3,4-difluorobenzoyl)-7-hydroxy-4-methylchromen-2-one
CID 71511144
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135719130
7-hydroxy-8-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-4-methylchromen-2-one
CID 6842564
4-methyl-7-phenylmethoxy-8-propanoylchromen-2-one
CID 904800
(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
CID 905836
(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy thiohypofluorite
CID 155149543
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one (CID 45104609) is 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2c(C(=O)c3ccco3)c(O)ccc12.
What is the InChIKey of 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one?
The InChIKey is AOQWFOFUEKMYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-8-7-12(17)20-15-9(8)4-5-10(16)13(15)14(18)11-3-2-6-19-11/h2-7,16H,1H3.
What are the key properties of 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one?
8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one has a molecular weight of 270.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-carbonyl)-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 45104609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).