4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one

C22H24O4 — CID 71307568

IUPAC4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one
SMILESCC(C)=CC(O)C/C(C)=C/CCc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C22H24O4/c1-14(2)11-16(23)12-15(3)5-4-6-17-18-7-8-22(24)26-21(18)13-20-19(17)9-10-25-20/h5,7-11,13,16,23H,4,6,12H2,1-3H3/b15-5+
InChIKeyFBBLYIUMOWEBEF-PJQLUOCWSA-N
MW352.43 g/mol
LogP5.14
Rot. Bonds6

About 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one

4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one (PubChem CID 71307568) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one
PubChem CID71307568
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one
SMILESCC(C)=CC(O)C/C(C)=C/CCc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C22H24O4/c1-14(2)11-16(23)12-15(3)5-4-6-17-18-7-8-22(24)26-21(18)13-20-19(17)9-10-25-20/h5,7-11,13,16,23H,4,6,12H2,1-3H3/b15-5+
InChIKeyFBBLYIUMOWEBEF-PJQLUOCWSA-N
XLogP5.14
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one with MolForge

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Related Compounds

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
[(6E)-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyocta-2,6-dien-4-yl] acetate
CID 45479858
4-[(2E,5S)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162906112
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-5-methoxychromen-2-one
CID 177433306
4-[(E,6R)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
CID 53316972
4-(6-hydroxy-7-methoxy-3,7-dimethyloct-2-enoxy)furo[3,2-g]chromen-7-one
CID 73045698
6-hydroxy-7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
CID 163189235
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
CID 142092085
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
7-[(5S,6E)-5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
CID 162860604
7-(5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy)chromen-2-one
CID 73081509

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one?
The IUPAC name of 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one (CID 71307568) is 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one is CC(C)=CC(O)C/C(C)=C/CCc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one?
The InChIKey is FBBLYIUMOWEBEF-PJQLUOCWSA-N. The full InChI is InChI=1S/C22H24O4/c1-14(2)11-16(23)12-15(3)5-4-6-17-18-7-8-22(24)26-21(18)13-20-19(17)9-10-25-20/h5,7-11,13,16,23H,4,6,12H2,1-3H3/b15-5+.
What are the key properties of 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one?
4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one has a molecular weight of 352.43 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-6-hydroxy-4,8-dimethylnona-3,7-dienyl]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 71307568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).