9-ethyl-5-methylfuro[3,2-g]chromen-7-one

C14H12O3 — CID 23459775

IUPAC9-ethyl-5-methylfuro[3,2-g]chromen-7-one
SMILESCCc1c2occc2cc2c(C)cc(=O)oc12
InChIInChI=1S/C14H12O3/c1-3-10-13-9(4-5-16-13)7-11-8(2)6-12(15)17-14(10)11/h4-7H,3H2,1-2H3
InChIKeyRFIXELJQKIBARE-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.41
Rot. Bonds1

About 9-ethyl-5-methylfuro[3,2-g]chromen-7-one

9-ethyl-5-methylfuro[3,2-g]chromen-7-one (PubChem CID 23459775) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 9-ethyl-5-methylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-ethyl-5-methylfuro[3,2-g]chromen-7-one
PubChem CID23459775
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name9-ethyl-5-methylfuro[3,2-g]chromen-7-one
SMILESCCc1c2occc2cc2c(C)cc(=O)oc12
InChIInChI=1S/C14H12O3/c1-3-10-13-9(4-5-16-13)7-11-8(2)6-12(15)17-14(10)11/h4-7H,3H2,1-2H3
InChIKeyRFIXELJQKIBARE-UHFFFAOYSA-N
XLogP3.41
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-9-ethyl-2,5-dimethylfuro[3,2-g]chromen-7-one
CID 59103381
N-(4-methyl-2-oxofuro[2,3-h]chromen-6-yl)formamide
CID 618277
9-(hydroxymethyl)furo[3,2-g]chromen-7-one
CID 20823678
2-benzoyl-3-ethyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 631400
2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-(2-oxopropyl)amino]acetic acid
CID 130355789
9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one
CID 142673674
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
CID 71342682
6-ethyl-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 102598102
ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 174817988
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one
CID 5350076
7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
CID 13298920
3-ethyl-2-methylpyran-4-one
CID 13348270

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-5-methylfuro[3,2-g]chromen-7-one?
The IUPAC name of 9-ethyl-5-methylfuro[3,2-g]chromen-7-one (CID 23459775) is 9-ethyl-5-methylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 9-ethyl-5-methylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 9-ethyl-5-methylfuro[3,2-g]chromen-7-one is CCc1c2occc2cc2c(C)cc(=O)oc12.
What is the InChIKey of 9-ethyl-5-methylfuro[3,2-g]chromen-7-one?
The InChIKey is RFIXELJQKIBARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-3-10-13-9(4-5-16-13)7-11-8(2)6-12(15)17-14(10)11/h4-7H,3H2,1-2H3.
What are the key properties of 9-ethyl-5-methylfuro[3,2-g]chromen-7-one?
9-ethyl-5-methylfuro[3,2-g]chromen-7-one has a molecular weight of 228.25 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-5-methylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 23459775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).