2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one

C17H14O9 — CID 163060449

IUPAC2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
SMILESCOc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)c(O)cc1O
InChIInChI=1S/C17H14O9/c1-24-11-3-6(7(18)4-8(11)19)15-14(23)13(22)12-9(20)5-10(21)16(25-2)17(12)26-15/h3-5,18-21,23H,1-2H3
InChIKeyMYARNAABAMCQAS-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.01
Rot. Bonds3

About 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one

2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one (PubChem CID 163060449) has the molecular formula C17H14O9 and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one.

Molecular Properties

Compound Name2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
PubChem CID163060449
Molecular FormulaC17H14O9
Molecular Weight362.29 g/mol
Exact Mass362.06
IUPAC Name2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
SMILESCOc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)c(O)cc1O
InChIInChI=1S/C17H14O9/c1-24-11-3-6(7(18)4-8(11)19)15-14(23)13(22)12-9(20)5-10(21)16(25-2)17(12)26-15/h3-5,18-21,23H,1-2H3
InChIKeyMYARNAABAMCQAS-UHFFFAOYSA-N
XLogP2.01
TPSA149.82 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
3,5,7-trihydroxy-8-methoxy-2-(4-piperidin-1-ylphenyl)chromen-4-one
CID 165142376
3,5,7-trihydroxy-8-methoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]chromen-4-one
CID 165142365
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxochromen-3-olate
CID 25201769
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
CID 14375134
1,5,8-trihydroxy-3,4-dimethoxyxanthen-9-one
CID 86183532
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 102403396
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 162932023
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-methylchromen-4-one
CID 46913430

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one?
The IUPAC name of 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one (CID 163060449) is 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one.
What is the SMILES notation for 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one?
The canonical SMILES for 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one is COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)c(O)cc1O.
What is the InChIKey of 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one?
The InChIKey is MYARNAABAMCQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O9/c1-24-11-3-6(7(18)4-8(11)19)15-14(23)13(22)12-9(20)5-10(21)16(25-2)17(12)26-15/h3-5,18-21,23H,1-2H3.
What are the key properties of 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one?
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one has a molecular weight of 362.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one is sourced from PubChem (CID 163060449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).