8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one

C26H30O6 — CID 10478291

IUPAC8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(OC/C=C(\C)CCC(O)C(C)(C)O)cccc3c2=O)cc1
InChIInChI=1S/C26H30O6/c1-17(8-13-23(27)26(2,3)29)14-15-31-22-7-5-6-20-24(28)21(16-32-25(20)22)18-9-11-19(30-4)12-10-18/h5-7,9-12,14,16,23,27,29H,8,13,15H2,1-4H3/b17-14+
InChIKeyGNCTVQSZXPYLBB-SAPNQHFASA-N
MW438.52 g/mol
LogP4.71
Rot. Bonds9

About 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one

8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 10478291) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one
PubChem CID10478291
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(OC/C=C(\C)CCC(O)C(C)(C)O)cccc3c2=O)cc1
InChIInChI=1S/C26H30O6/c1-17(8-13-23(27)26(2,3)29)14-15-31-22-7-5-6-20-24(28)21(16-32-25(20)22)18-9-11-19(30-4)12-10-18/h5-7,9-12,14,16,23,27,29H,8,13,15H2,1-4H3/b17-14+
InChIKeyGNCTVQSZXPYLBB-SAPNQHFASA-N
XLogP4.71
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[(E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 162994346
7-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 11004658
4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-1H-quinolin-2-one
CID 5338262
5-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-7-hydroxychromen-2-one
CID 162997795
8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 14044483
7,8-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
CID 16733845
7-(3,7-dimethylocta-2,6-dienoxy)-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
CID 163053489
7-[(10S,11S)-10,11,12-trihydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one
CID 162810605
methyl (3S)-3-[7-methoxy-3-(4-methoxyphenyl)-4-oxochromen-8-yl]-3-phenylpropanoate
CID 97045720
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
(E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol
CID 70594960

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one (CID 10478291) is 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3c(OC/C=C(\C)CCC(O)C(C)(C)O)cccc3c2=O)cc1.
What is the InChIKey of 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is GNCTVQSZXPYLBB-SAPNQHFASA-N. The full InChI is InChI=1S/C26H30O6/c1-17(8-13-23(27)26(2,3)29)14-15-31-22-7-5-6-20-24(28)21(16-32-25(20)22)18-9-11-19(30-4)12-10-18/h5-7,9-12,14,16,23,27,29H,8,13,15H2,1-4H3/b17-14+.
What are the key properties of 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one?
8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 438.52 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 10478291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).