4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one

C22H24O4 — CID 171358636

IUPAC4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one
SMILESCCC/C(C=C(C)C)=C\COc1c2occc2c(C)c2ccc(=O)oc12
InChIInChI=1S/C22H24O4/c1-5-6-16(13-14(2)3)9-11-25-22-20-18(10-12-24-20)15(4)17-7-8-19(23)26-21(17)22/h7-10,12-13H,5-6,11H2,1-4H3/b16-9+
InChIKeyOLAUAIDGXDXOCA-CXUHLZMHSA-N
MW352.43 g/mol
LogP5.92
Rot. Bonds6

About 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one

4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one (PubChem CID 171358636) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one
PubChem CID171358636
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one
SMILESCCC/C(C=C(C)C)=C\COc1c2occc2c(C)c2ccc(=O)oc12
InChIInChI=1S/C22H24O4/c1-5-6-16(13-14(2)3)9-11-25-22-20-18(10-12-24-20)15(4)17-7-8-19(23)26-21(17)22/h7-10,12-13H,5-6,11H2,1-4H3/b16-9+
InChIKeyOLAUAIDGXDXOCA-CXUHLZMHSA-N
XLogP5.92
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one?
The IUPAC name of 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one (CID 171358636) is 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one is CCC/C(C=C(C)C)=C\COc1c2occc2c(C)c2ccc(=O)oc12.
What is the InChIKey of 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one?
The InChIKey is OLAUAIDGXDXOCA-CXUHLZMHSA-N. The full InChI is InChI=1S/C22H24O4/c1-5-6-16(13-14(2)3)9-11-25-22-20-18(10-12-24-20)15(4)17-7-8-19(23)26-21(17)22/h7-10,12-13H,5-6,11H2,1-4H3/b16-9+.
What are the key properties of 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one?
4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one has a molecular weight of 352.43 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-[(2E)-5-methyl-3-propylhexa-2,4-dienoxy]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 171358636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).