7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

C23H24O6 — CID 24880410

IUPAC7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(OC)c3c(=O)c2OC)cc1
InChIInChI=1S/C23H24O6/c1-13(2)6-11-16-17(24)12-18(27-4)19-20(25)23(28-5)21(29-22(16)19)14-7-9-15(26-3)10-8-14/h6-10,12,24H,11H2,1-5H3
InChIKeyOAAUCVGXENGDCA-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.70
Rot. Bonds6

About 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one (PubChem CID 24880410) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
PubChem CID24880410
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(OC)c3c(=O)c2OC)cc1
InChIInChI=1S/C23H24O6/c1-13(2)6-11-16-17(24)12-18(27-4)19-20(25)23(28-5)21(29-22(16)19)14-7-9-15(26-3)10-8-14/h6-10,12,24H,11H2,1-5H3
InChIKeyOAAUCVGXENGDCA-UHFFFAOYSA-N
XLogP4.70
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 71660987
(E)-4-[3-[(E)-3-carboxyprop-2-enoxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-7-yl]oxybut-2-enoic acid
CID 122181133
3,5-dihydroxy-2-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enyl)chromen-4-one
CID 53492213
5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 162982441
5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 72714409
5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 156773012
2-(4-fluoro-3-methoxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 57405210
4-[3-[3-[3-(3-carboxypropanoyloxy)propoxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-7-yl]oxypropoxy]-4-oxobutanoic acid
CID 122180873
4-[5,7-dihydroxy-3-methoxy-6,8-bis(3-methylbut-2-enyl)-4-oxochromen-2-yl]benzamide
CID 57406233
[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl] N,N-dimethylcarbamate
CID 171351577
3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one
CID 86305068
3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
CID 162937183

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one?
The IUPAC name of 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one (CID 24880410) is 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one is COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(OC)c3c(=O)c2OC)cc1.
What is the InChIKey of 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one?
The InChIKey is OAAUCVGXENGDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c1-13(2)6-11-16-17(24)12-18(27-4)19-20(25)23(28-5)21(29-22(16)19)14-7-9-15(26-3)10-8-14/h6-10,12,24H,11H2,1-5H3.
What are the key properties of 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one?
7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one has a molecular weight of 396.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 24880410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).