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

C17H14O7 — CID 11012936

IUPAC3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(O)c(-c3cccc(O)c3OC)oc2c1
InChIInChI=1S/C17H14O7/c1-22-8-6-11(19)13-12(7-8)24-17(15(21)14(13)20)9-4-3-5-10(18)16(9)23-2/h3-7,18-19,21H,1-2H3
InChIKeyNFQZMQAILPAEBD-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.59
Rot. Bonds3

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

3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one (PubChem CID 11012936) has the molecular formula C17H14O7 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
PubChem CID11012936
Molecular FormulaC17H14O7
Molecular Weight330.29 g/mol
Exact Mass330.07
IUPAC Name3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(O)c(-c3cccc(O)c3OC)oc2c1
InChIInChI=1S/C17H14O7/c1-22-8-6-11(19)13-12(7-8)24-17(15(21)14(13)20)9-4-3-5-10(18)16(9)23-2/h3-7,18-19,21H,1-2H3
InChIKeyNFQZMQAILPAEBD-UHFFFAOYSA-N
XLogP2.59
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
CID 5487631
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 5316837
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 11634352
2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxychromen-4-one
CID 5466137
4,5-dihydroxy-7-methoxychromen-2-one
CID 82371903
3,5-dihydroxy-2-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one
CID 102132811

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one (CID 11012936) is 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one is COc1cc(O)c2c(=O)c(O)c(-c3cccc(O)c3OC)oc2c1.
What is the InChIKey of 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one?
The InChIKey is NFQZMQAILPAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7/c1-22-8-6-11(19)13-12(7-8)24-17(15(21)14(13)20)9-4-3-5-10(18)16(9)23-2/h3-7,18-19,21H,1-2H3.
What are the key properties of 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one?
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one has a molecular weight of 330.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 11012936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).