5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one

C19H22O5 — CID 71607849

IUPAC5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one
SMILESCOc1cc2c(c3c1CCC(C)(CC(=O)C=C(C)C)O3)C(=O)OC2
InChIInChI=1S/C19H22O5/c1-11(2)7-13(20)9-19(3)6-5-14-15(22-4)8-12-10-23-18(21)16(12)17(14)24-19/h7-8H,5-6,9-10H2,1-4H3
InChIKeyAHSKHMCUHVNVRW-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.37
Rot. Bonds4

About 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one

5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one (PubChem CID 71607849) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one
PubChem CID71607849
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one
SMILESCOc1cc2c(c3c1CCC(C)(CC(=O)C=C(C)C)O3)C(=O)OC2
InChIInChI=1S/C19H22O5/c1-11(2)7-13(20)9-19(3)6-5-14-15(22-4)8-12-10-23-18(21)16(12)17(14)24-19/h7-8H,5-6,9-10H2,1-4H3
InChIKeyAHSKHMCUHVNVRW-UHFFFAOYSA-N
XLogP3.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one?
The IUPAC name of 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one (CID 71607849) is 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one.
What is the SMILES notation for 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one?
The canonical SMILES for 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one is COc1cc2c(c3c1CCC(C)(CC(=O)C=C(C)C)O3)C(=O)OC2.
What is the InChIKey of 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one?
The InChIKey is AHSKHMCUHVNVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-11(2)7-13(20)9-19(3)6-5-14-15(22-4)8-12-10-23-18(21)16(12)17(14)24-19/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one?
5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one has a molecular weight of 330.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-4,7-dihydro-3H-furo[3,4-h]chromen-9-one is sourced from PubChem (CID 71607849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).