6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

C19H20O3 — CID 14135678

IUPAC6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESC=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(=C)C)C3
InChIInChI=1S/C19H20O3/c1-6-19(4,5)14-8-12-7-13-9-15(11(2)3)21-16(13)10-17(12)22-18(14)20/h6-8,10,15H,1-2,9H2,3-5H3
InChIKeyVSCRFQYWCSFUIR-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.14
Rot. Bonds3

About 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one

6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one (PubChem CID 14135678) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID14135678
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
SMILESC=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(=C)C)C3
InChIInChI=1S/C19H20O3/c1-6-19(4,5)14-8-12-7-13-9-15(11(2)3)21-16(13)10-17(12)22-18(14)20/h6-8,10,15H,1-2,9H2,3-5H3
InChIKeyVSCRFQYWCSFUIR-UHFFFAOYSA-N
XLogP4.14
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The IUPAC name of 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one (CID 14135678) is 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one.
What is the SMILES notation for 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The canonical SMILES for 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one is C=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(=C)C)C3.
What is the InChIKey of 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
The InChIKey is VSCRFQYWCSFUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-6-19(4,5)14-8-12-7-13-9-15(11(2)3)21-16(13)10-17(12)22-18(14)20/h6-8,10,15H,1-2,9H2,3-5H3.
What are the key properties of 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one?
6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one has a molecular weight of 296.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one is sourced from PubChem (CID 14135678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).