(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

C21H22O7 — CID 162857768

IUPAC(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
SMILESCOc1ccc([C@H]2Oc3c4c(cc(O)c3C(=O)[C@@H]2O)OC(C)(C)CC4)c(O)c1
InChIInChI=1S/C21H22O7/c1-21(2)7-6-12-15(28-21)9-14(23)16-17(24)18(25)20(27-19(12)16)11-5-4-10(26-3)8-13(11)22/h4-5,8-9,18,20,22-23,25H,6-7H2,1-3H3/t18-,20+/m0/s1
InChIKeyYOVXQNOKBPXHOT-AZUAARDMSA-N
MW386.40 g/mol
LogP2.89
Rot. Bonds2

About (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one (PubChem CID 162857768) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
PubChem CID162857768
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
SMILESCOc1ccc([C@H]2Oc3c4c(cc(O)c3C(=O)[C@@H]2O)OC(C)(C)CC4)c(O)c1
InChIInChI=1S/C21H22O7/c1-21(2)7-6-12-15(28-21)9-14(23)16-17(24)18(25)20(27-19(12)16)11-5-4-10(26-3)8-13(11)22/h4-5,8-9,18,20,22-23,25H,6-7H2,1-3H3/t18-,20+/m0/s1
InChIKeyYOVXQNOKBPXHOT-AZUAARDMSA-N
XLogP2.89
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 42608049
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 102444397
(2S,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one
CID 163103401
9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 10492487
5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one
CID 11623082
5-methoxy-2-(8-methyl-8-phenyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)phenol
CID 148992994
7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
CID 13123193
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5-dihydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 166704137
(7R,8R)-8-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 71473387
(4R)-4-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186427
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The IUPAC name of (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one (CID 162857768) is (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one.
What is the SMILES notation for (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The canonical SMILES for (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one is COc1ccc([C@H]2Oc3c4c(cc(O)c3C(=O)[C@@H]2O)OC(C)(C)CC4)c(O)c1.
What is the InChIKey of (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The InChIKey is YOVXQNOKBPXHOT-AZUAARDMSA-N. The full InChI is InChI=1S/C21H22O7/c1-21(2)7-6-12-15(28-21)9-14(23)16-17(24)18(25)20(27-19(12)16)11-5-4-10(26-3)8-13(11)22/h4-5,8-9,18,20,22-23,25H,6-7H2,1-3H3/t18-,20+/m0/s1.
What are the key properties of (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
(2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one has a molecular weight of 386.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,5-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 162857768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).