9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one

C16H14O5 — CID 14521099

IUPAC9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one
SMILESCC(C)C(=O)COc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,9H,8H2,1-2H3
InChIKeySVPDNNKLQWHTPC-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.14
Rot. Bonds4

About 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one

9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one (PubChem CID 14521099) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one
PubChem CID14521099
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one
SMILESCC(C)C(=O)COc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,9H,8H2,1-2H3
InChIKeySVPDNNKLQWHTPC-UHFFFAOYSA-N
XLogP3.14
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one (CID 14521099) is 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one is CC(C)C(=O)COc1c2occc2cc2ccc(=O)oc12.
What is the InChIKey of 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one?
The InChIKey is SVPDNNKLQWHTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,9H,8H2,1-2H3.
What are the key properties of 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one?
9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one has a molecular weight of 286.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 14521099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).