5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one

C20H18O6 — CID 162915472

IUPAC5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
SMILESC=C(C)C(O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChIInChI=1S/C20H18O6/c1-10(2)15(23)6-12-5-11(3-4-14(12)22)18-9-17(25)20-16(24)7-13(21)8-19(20)26-18/h3-5,7-9,15,21-24H,1,6H2,2H3
InChIKeyXJHLCYLKOIHOTJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.06
Rot. Bonds4

About 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one

5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one (PubChem CID 162915472) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
PubChem CID162915472
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
SMILESC=C(C)C(O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChIInChI=1S/C20H18O6/c1-10(2)15(23)6-12-5-11(3-4-14(12)22)18-9-17(25)20-16(24)7-13(21)8-19(20)26-18/h3-5,7-9,15,21-24H,1,6H2,2H3
InChIKeyXJHLCYLKOIHOTJ-UHFFFAOYSA-N
XLogP3.06
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
CID 11013649
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one
CID 71605238
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
2-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one
CID 169245769
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
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one (CID 162915472) is 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one is C=C(C)C(O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O.
What is the InChIKey of 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one?
The InChIKey is XJHLCYLKOIHOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-10(2)15(23)6-12-5-11(3-4-14(12)22)18-9-17(25)20-16(24)7-13(21)8-19(20)26-18/h3-5,7-9,15,21-24H,1,6H2,2H3.
What are the key properties of 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one?
5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one has a molecular weight of 354.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one is sourced from PubChem (CID 162915472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).