9-methyl-3-propanoylfuro[2,3-h]chromen-2-one

C15H12O4 — CID 141465126

IUPAC9-methyl-3-propanoylfuro[2,3-h]chromen-2-one
SMILESCCC(=O)c1cc2ccc3occ(C)c3c2oc1=O
InChIInChI=1S/C15H12O4/c1-3-11(16)10-6-9-4-5-12-13(8(2)7-18-12)14(9)19-15(10)17/h4-7H,3H2,1-2H3
InChIKeyWXWYKCMVAZHROV-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.44
Rot. Bonds2

About 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one

9-methyl-3-propanoylfuro[2,3-h]chromen-2-one (PubChem CID 141465126) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name9-methyl-3-propanoylfuro[2,3-h]chromen-2-one
PubChem CID141465126
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name9-methyl-3-propanoylfuro[2,3-h]chromen-2-one
SMILESCCC(=O)c1cc2ccc3occ(C)c3c2oc1=O
InChIInChI=1S/C15H12O4/c1-3-11(16)10-6-9-4-5-12-13(8(2)7-18-12)14(9)19-15(10)17/h4-7H,3H2,1-2H3
InChIKeyWXWYKCMVAZHROV-UHFFFAOYSA-N
XLogP3.44
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzoyl-9-methylfuro[2,3-h]chromen-2-one
CID 141465130
5-hydroxy-4-methyl-6-propanoylchromen-2-one
CID 44721131
ethane;hexane;propane;3-propanoylchromen-2-one
CID 142053416
1-methylbenzo[e][1]benzofuran
CID 13085655
diethyl 8,9-dimethyl-2-oxopyrano[2,3-e]isoindole-3,7-dicarboxylate
CID 44582525
ethyl 8-bromo-2-oxochromene-3-carboxylate
CID 118281896
2-(4-hydroxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
CID 141466718
ethyl 6-bromo-2-oxochromene-3-carboxylate
CID 691747
N-butan-2-yl-8-methyl-2-oxochromene-3-carboxamide
CID 133155176
N-[(2S)-butan-2-yl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794085
3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran
CID 119026131
8-ethyl-7-methoxy-2-oxochromene-3-carboxylic acid
CID 87272074

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one?
The IUPAC name of 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one (CID 141465126) is 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one is CCC(=O)c1cc2ccc3occ(C)c3c2oc1=O.
What is the InChIKey of 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one?
The InChIKey is WXWYKCMVAZHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-3-11(16)10-6-9-4-5-12-13(8(2)7-18-12)14(9)19-15(10)17/h4-7H,3H2,1-2H3.
What are the key properties of 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one?
9-methyl-3-propanoylfuro[2,3-h]chromen-2-one has a molecular weight of 256.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-propanoylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 141465126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).