(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

C96H96O36 — CID 158527508

About (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 158527508) has the molecular formula C96H96O36 and a molecular weight of 1825.79 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

• Compound Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• PubChem CID: 158527508
• Molecular Formula: C96H96O36
• Molecular Weight: 1825.79 g/mol
• Exact Mass: 1824.57
• IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• SMILES: COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc(OC)c1OC.COc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1.COc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1OC.Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2.Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2.Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1
• InChI: InChI=1S/C18H20O7.C17H18O6.C16H16O5.C15H14O7.C15H14O6.C15H14O5/c1-22-15-4-9(5-16(23-2)18(15)24-3)17-13(21)8-11-12(20)6-10(19)7-14(11)25-17;1-21-14-4-3-9(5-16(14)22-2)17-13(20)8-11-12(19)6-10(18)7-15(11)23-17;1-20-11-4-2-9(3-5-11)16-14(19)8-12-13(18)6-10(17)7-15(12)21-16;16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h4-7,13,17,19-21H,8H2,1-3H3;3-7,13,17-20H,8H2,1-2H3;2-7,14,16-19H,8H2,1H3;1-4,12,15-21H,5H2;1-5,13,15-20H,6H2;1-6,13,15-19H,7H2/t2*13-,17-;14-,16-;12-,15-;2*13-,15-/m111111/s1
• InChIKey: HMYQIYJKMXYNKD-CYDNXEABSA-N
• XLogP: 11.09
• TPSA: 596.28 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1825.79
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?

The IUPAC name of (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (CID 158527508) is (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

What is the SMILES notation for (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?

The canonical SMILES for (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc(OC)c1OC.COc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1.COc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1OC.Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2.Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2.Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1.

What is the InChIKey of (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?

The InChIKey is HMYQIYJKMXYNKD-CYDNXEABSA-N. The full InChI is InChI=1S/C18H20O7.C17H18O6.C16H16O5.C15H14O7.C15H14O6.C15H14O5/c1-22-15-4-9(5-16(23-2)18(15)24-3)17-13(21)8-11-12(20)6-10(19)7-14(11)25-17;1-21-14-4-3-9(5-16(14)22-2)17-13(20)8-11-12(19)6-10(18)7-15(11)23-17;1-20-11-4-2-9(3-5-11)16-14(19)8-12-13(18)6-10(17)7-15(12)21-16;16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h4-7,13,17,19-21H,8H2,1-3H3;3-7,13,17-20H,8H2,1-2H3;2-7,14,16-19H,8H2,1H3;1-4,12,15-21H,5H2;1-5,13,15-20H,6H2;1-6,13,15-19H,7H2/t2*13-,17-;14-,16-;12-,15-;2*13-,15-/m111111/s1.

What are the key properties of (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 1825.79 g/mol, XLogP of 11.09, 12 rotatable bonds, 24 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 158527508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).