9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one

C15H12O3 — CID 10977554

IUPAC9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one
SMILESC=C(C)c1cc2c(=O)oc3cccc(C)c3c2o1
InChIInChI=1S/C15H12O3/c1-8(2)12-7-10-14(17-12)13-9(3)5-4-6-11(13)18-15(10)16/h4-7H,1H2,2-3H3
InChIKeyVQUALAOMJNCAIH-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.88
Rot. Bonds1

About 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one

9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one (PubChem CID 10977554) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one
PubChem CID10977554
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one
SMILESC=C(C)c1cc2c(=O)oc3cccc(C)c3c2o1
InChIInChI=1S/C15H12O3/c1-8(2)12-7-10-14(17-12)13-9(3)5-4-6-11(13)18-15(10)16/h4-7H,1H2,2-3H3
InChIKeyVQUALAOMJNCAIH-UHFFFAOYSA-N
XLogP3.88
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one?
The IUPAC name of 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one (CID 10977554) is 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one is C=C(C)c1cc2c(=O)oc3cccc(C)c3c2o1.
What is the InChIKey of 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one?
The InChIKey is VQUALAOMJNCAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-8(2)12-7-10-14(17-12)13-9(3)5-4-6-11(13)18-15(10)16/h4-7H,1H2,2-3H3.
What are the key properties of 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one?
9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one has a molecular weight of 240.26 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-prop-1-en-2-ylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 10977554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).