5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one

C19H18O8 — CID 162872700

IUPAC5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one
SMILESCOc1cc(Oc2oc3cc(OC)c(C)c(O)c3c(=O)c2OC)ccc1O
InChIInChI=1S/C19H18O8/c1-9-12(23-2)8-14-15(16(9)21)17(22)18(25-4)19(27-14)26-10-5-6-11(20)13(7-10)24-3/h5-8,20-21H,1-4H3
InChIKeyKSIBFYLBLJSVTC-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.33
Rot. Bonds5

About 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one

5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one (PubChem CID 162872700) has the molecular formula C19H18O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one
PubChem CID162872700
Molecular FormulaC19H18O8
Molecular Weight374.35 g/mol
Exact Mass374.10
IUPAC Name5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one
SMILESCOc1cc(Oc2oc3cc(OC)c(C)c(O)c3c(=O)c2OC)ccc1O
InChIInChI=1S/C19H18O8/c1-9-12(23-2)8-14-15(16(9)21)17(22)18(25-4)19(27-14)26-10-5-6-11(20)13(7-10)24-3/h5-8,20-21H,1-4H3
InChIKeyKSIBFYLBLJSVTC-UHFFFAOYSA-N
XLogP3.33
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one
CID 132989525
7-hydroxy-2-(4-hydroxyphenoxy)-3,5-dimethoxychromen-4-one
CID 163010964
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
CID 167110086
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
5,6,7-trihydroxy-2-(4-hydroxy-3-methylphenyl)-3-methoxychromen-4-one
CID 163023602
1,2,6-trihydroxy-8-methoxyxanthen-9-one
CID 123716536
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
CID 10016947
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one (CID 162872700) is 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one is COc1cc(Oc2oc3cc(OC)c(C)c(O)c3c(=O)c2OC)ccc1O.
What is the InChIKey of 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one?
The InChIKey is KSIBFYLBLJSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O8/c1-9-12(23-2)8-14-15(16(9)21)17(22)18(25-4)19(27-14)26-10-5-6-11(20)13(7-10)24-3/h5-8,20-21H,1-4H3.
What are the key properties of 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one?
5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one has a molecular weight of 374.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxy-3-methoxyphenoxy)-3,7-dimethoxy-6-methylchromen-4-one is sourced from PubChem (CID 162872700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).