2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

C94H80O26 — CID 162207047

About 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one

2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 162207047) has the molecular formula C94H80O26 and a molecular weight of 1625.65 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
• PubChem CID: 162207047
• Molecular Formula: C94H80O26
• Molecular Weight: 1625.65 g/mol
• Exact Mass: 1624.49
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
• SMILES: COc1cc(C2CC(=O)c3ccc(O)cc3O2)ccc1O.COc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O.COc1cc(O)cc2c1C(=O)CC(c1ccccc1)O2.COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1O.O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21.O=C1CC(c2ccccc2)Oc2cc(O)ccc21
• InChI: InChI=1S/2C16H14O5.2C16H14O4.C15H12O5.C15H12O3/c1-20-14-5-2-9(6-13(14)19)15-8-12(18)11-4-3-10(17)7-16(11)21-15;1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14;1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10;1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10;16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8;16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h2-7,15,17,19H,8H2,1H3;2-7,14,17-18H,8H2,1H3;2-8,13,17H,9H2,1H3;2-8,14,17H,9H2,1H3;1-6,14,16-17,19H,7H2;1-8,14,16H,9H2
• InChIKey: ZSIGNZPQSIJEIT-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 397.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1625.65
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

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 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?

The IUPAC name of 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one (CID 162207047) is 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one.

What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?

The canonical SMILES for 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is COc1cc(C2CC(=O)c3ccc(O)cc3O2)ccc1O.COc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O.COc1cc(O)cc2c1C(=O)CC(c1ccccc1)O2.COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1O.O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)ccc21.O=C1CC(c2ccccc2)Oc2cc(O)ccc21.

What is the InChIKey of 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?

The InChIKey is ZSIGNZPQSIJEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14O5.2C16H14O4.C15H12O5.C15H12O3/c1-20-14-5-2-9(6-13(14)19)15-8-12(18)11-4-3-10(17)7-16(11)21-15;1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14;1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10;1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10;16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8;16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h2-7,15,17,19H,8H2,1H3;2-7,14,17-18H,8H2,1H3;2-8,13,17H,9H2,1H3;2-8,14,17H,9H2,1H3;1-6,14,16-17,19H,7H2;1-8,14,16H,9H2.

What are the key properties of 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one?

2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 1625.65 g/mol, XLogP of 17.45, 10 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162207047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).