5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one

C18H16O6 — CID 5319463

IUPAC5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
SMILESCOc1ccc(O)c(-c2cc(=O)c3c(O)c(C)c(O)c(C)c3o2)c1
InChIInChI=1S/C18H16O6/c1-8-16(21)9(2)18-15(17(8)22)13(20)7-14(24-18)11-6-10(23-3)4-5-12(11)19/h4-7,19,21-22H,1-3H3
InChIKeyZCCFCTIEGKENDS-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.20
Rot. Bonds2

About 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one

5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one (PubChem CID 5319463) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
PubChem CID5319463
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
SMILESCOc1ccc(O)c(-c2cc(=O)c3c(O)c(C)c(O)c(C)c3o2)c1
InChIInChI=1S/C18H16O6/c1-8-16(21)9(2)18-15(17(8)22)13(20)7-14(24-18)11-6-10(23-3)4-5-12(11)19/h4-7,19,21-22H,1-3H3
InChIKeyZCCFCTIEGKENDS-UHFFFAOYSA-N
XLogP3.20
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-dimethylchromen-4-one
CID 10065066
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 102403396
2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one
CID 132989525
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079
8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 15870477
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
CID 5320646
2-(2-bromo-5-methoxyphenyl)-5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one
CID 66933947
6,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 16657777
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 146460571

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one (CID 5319463) is 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one is COc1ccc(O)c(-c2cc(=O)c3c(O)c(C)c(O)c(C)c3o2)c1.
What is the InChIKey of 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one?
The InChIKey is ZCCFCTIEGKENDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-8-16(21)9(2)18-15(17(8)22)13(20)7-14(24-18)11-6-10(23-3)4-5-12(11)19/h4-7,19,21-22H,1-3H3.
What are the key properties of 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one?
5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one is sourced from PubChem (CID 5319463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).