6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one

C20H16O5 — CID 155567593

IUPAC6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one
SMILESC/C(=C\c1occ2cc3oc(=O)ccc3cc12)C1=CC(=O)C(C)(C)O1
InChIInChI=1S/C20H16O5/c1-11(15-9-18(21)20(2,3)25-15)6-17-14-7-12-4-5-19(22)24-16(12)8-13(14)10-23-17/h4-10H,1-3H3/b11-6+
InChIKeyFRCVJVMJNLULHS-IZZDOVSWSA-N
MW336.34 g/mol
LogP4.20
Rot. Bonds2

About 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one

6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one (PubChem CID 155567593) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one.

Molecular Properties

Compound Name6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one
PubChem CID155567593
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one
SMILESC/C(=C\c1occ2cc3oc(=O)ccc3cc12)C1=CC(=O)C(C)(C)O1
InChIInChI=1S/C20H16O5/c1-11(15-9-18(21)20(2,3)25-15)6-17-14-7-12-4-5-19(22)24-16(12)8-13(14)10-23-17/h4-10H,1-3H3/b11-6+
InChIKeyFRCVJVMJNLULHS-IZZDOVSWSA-N
XLogP4.20
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one?
The IUPAC name of 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one (CID 155567593) is 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one.
What is the SMILES notation for 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one?
The canonical SMILES for 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one is C/C(=C\c1occ2cc3oc(=O)ccc3cc12)C1=CC(=O)C(C)(C)O1.
What is the InChIKey of 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one?
The InChIKey is FRCVJVMJNLULHS-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H16O5/c1-11(15-9-18(21)20(2,3)25-15)6-17-14-7-12-4-5-19(22)24-16(12)8-13(14)10-23-17/h4-10H,1-3H3/b11-6+.
What are the key properties of 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one?
6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one has a molecular weight of 336.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(5,5-dimethyl-4-oxofuran-2-yl)prop-1-enyl]furo[3,4-g]chromen-2-one is sourced from PubChem (CID 155567593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).