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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Related Compounds

4-methoxy-9-[3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
CID 162921781
4-[(2S)-2,3-dihydroxy-3-methylbutoxy]-9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 162987520
9-[(2S)-3-chloro-2-hydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
CID 163042488
9-[(2R)-3-butoxy-2-hydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
CID 70697917
4-[(2E,5S)-3,5,7-trimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162824890
4-(3,5,7-trimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
CID 162824889
N-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)propanamide
CID 135132631
4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
CID 142092085
9-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyfuro[3,2-g]chromen-7-one
CID 11664684
4-[(2E,5S)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162906112
9-prop-2-enoxyfuro[3,2-g]chromen-7-one
CID 12772891

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).