(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one

C24H22O7 — CID 162946913

IUPAC(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(c(O)c1[C@H](C)c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C24H22O7/c1-12(13-3-7-15(25)8-4-13)19-17(30-2)11-18-20(21(19)27)22(28)23(29)24(31-18)14-5-9-16(26)10-6-14/h3-12,23-27,29H,1-2H3/t12-,23+,24-/m1/s1
InChIKeyZCHCYEGLUJFMGI-NJDYNZTKSA-N
MW422.43 g/mol
LogP3.64
Rot. Bonds4

About (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one

(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 162946913) has the molecular formula C24H22O7 and a molecular weight of 422.43 g/mol. Its IUPAC name is (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID162946913
Molecular FormulaC24H22O7
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(c(O)c1[C@H](C)c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C24H22O7/c1-12(13-3-7-15(25)8-4-13)19-17(30-2)11-18-20(21(19)27)22(28)23(29)24(31-18)14-5-9-16(26)10-6-14/h3-12,23-27,29H,1-2H3/t12-,23+,24-/m1/s1
InChIKeyZCHCYEGLUJFMGI-NJDYNZTKSA-N
XLogP3.64
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(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
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882
(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
3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 597405
(2S,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-6-methyl-2,3-dihydrochromen-4-one
CID 162934558
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
3,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 141131707
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 166704137
(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 101034223
3-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162997489

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one (CID 162946913) is (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one is COc1cc2c(c(O)c1[C@H](C)c1ccc(O)cc1)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2.
What is the InChIKey of (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is ZCHCYEGLUJFMGI-NJDYNZTKSA-N. The full InChI is InChI=1S/C24H22O7/c1-12(13-3-7-15(25)8-4-13)19-17(30-2)11-18-20(21(19)27)22(28)23(29)24(31-18)14-5-9-16(26)10-6-14/h3-12,23-27,29H,1-2H3/t12-,23+,24-/m1/s1.
What are the key properties of (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one?
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 422.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-[(1R)-1-(4-hydroxyphenyl)ethyl]-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162946913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).