5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C23H24O7 — CID 44562556

IUPAC5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H24O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-18(30-22(14)21)13-8-19(27-3)23(29-5)20(9-13)28-4/h6,8-11,24-25H,7H2,1-5H3
InChIKeyFAIUAVJQNKKQFB-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.41
Rot. Bonds6

About 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one

5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 44562556) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID44562556
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H24O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-18(30-22(14)21)13-8-19(27-3)23(29-5)20(9-13)28-4/h6,8-11,24-25H,7H2,1-5H3
InChIKeyFAIUAVJQNKKQFB-UHFFFAOYSA-N
XLogP4.41
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
CID 139750917
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903
2-(4-bromophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 139750916
2-(4-chlorophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 59152467
2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 89405659
2-(furan-2-yl)-7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 166172029
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 6481172
2-[3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 131676093
2-(4-bromophenyl)-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 71660987
2-[5-(5,7-dihydroxy-4-oxo-8-prop-2-enylchromen-2-yl)-2-methoxyphenoxy]acetic acid
CID 23212601
7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
CID 24880410
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 44562556) is 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one is COc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(OC)c1OC.
What is the InChIKey of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is FAIUAVJQNKKQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-18(30-22(14)21)13-8-19(27-3)23(29-5)20(9-13)28-4/h6,8-11,24-25H,7H2,1-5H3.
What are the key properties of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 412.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 44562556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).