3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one

C18H18O8 — CID 141131707

IUPAC3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2Oc3cc(OC)c(O)c(OC)c3C(=O)C2O)cc1O
InChIInChI=1S/C18H18O8/c1-23-10-5-4-8(6-9(10)19)17-16(22)15(21)13-11(26-17)7-12(24-2)14(20)18(13)25-3/h4-7,16-17,19-20,22H,1-3H3
InChIKeyZSMVLLBYRSJCAN-UHFFFAOYSA-N
MW362.33 g/mol
LogP1.80
Rot. Bonds4

About 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one

3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one (PubChem CID 141131707) has the molecular formula C18H18O8 and a molecular weight of 362.33 g/mol. Its IUPAC name is 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
PubChem CID141131707
Molecular FormulaC18H18O8
Molecular Weight362.33 g/mol
Exact Mass362.10
IUPAC Name3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2Oc3cc(OC)c(O)c(OC)c3C(=O)C2O)cc1O
InChIInChI=1S/C18H18O8/c1-23-10-5-4-8(6-9(10)19)17-16(22)15(21)13-11(26-17)7-12(24-2)14(20)18(13)25-3/h4-7,16-17,19-20,22H,1-3H3
InChIKeyZSMVLLBYRSJCAN-UHFFFAOYSA-N
XLogP1.80
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one
CID 44575071
3,5-dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 14707089
(2S,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-2,3-dihydrochromen-4-one
CID 162934558
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 166704137
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 101034223
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
CID 169180213
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 56850105
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one
CID 162946913

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one (CID 141131707) is 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one is COc1ccc(C2Oc3cc(OC)c(O)c(OC)c3C(=O)C2O)cc1O.
What is the InChIKey of 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is ZSMVLLBYRSJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O8/c1-23-10-5-4-8(6-9(10)19)17-16(22)15(21)13-11(26-17)7-12(24-2)14(20)18(13)25-3/h4-7,16-17,19-20,22H,1-3H3.
What are the key properties of 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one?
3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 362.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 141131707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).