5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one

C₁₂₃H₁₄₀O₃₁ — CID 161221813

About 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one

5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one (PubChem CID 161221813) has the molecular formula C₁₂₃H₁₄₀O₃₁ and a molecular weight of 2114.44 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
• PubChem CID: 161221813
• Molecular Formula: C₁₂₃H₁₄₀O₃₁
• Molecular Weight: 2114.44 g/mol
• Exact Mass: 2112.94
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
• SMILES: C=C(C)C(CC=C(C)C)Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1O)CC2=O.C=C(C)C(CC=C(C)C)Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1OC)CC2=O.C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c2c1OC(c1ccc(O)cc1O)CC2=O.C=C(C)C(CCC(C)(C)O)Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1O)CC2=O.C=C(C)CCc1c(O)cc(OC)c2c1OC(c1ccc(O)cc1O)CC2=O
• InChI: InChI=1S/2C26H30O6.C25H30O7.C25H28O6.C21H22O6/c1-14(2)6-7-16(15(3)4)10-19-20(28)12-21(29)25-22(30)13-24(32-26(19)25)18-9-8-17(27)11-23(18)31-5;1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28;1-13(2)14(7-8-25(3,4)31)9-17-19(28)11-20(29)23-21(30)12-22(32-24(17)23)16-6-5-15(26)10-18(16)27;1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27;1-11(2)4-6-14-16(24)9-19(26-3)20-17(25)10-18(27-21(14)20)13-7-5-12(22)8-15(13)23/h6,8-9,11-12,16,24,27-29H,3,7,10,13H2,1-2,4-5H3;6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3;5-6,10-11,14,22,26-29,31H,1,7-9,12H2,2-4H3;5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3;5,7-9,18,22-24H,1,4,6,10H2,2-3H3
• InChIKey: UXPPHQMAXQPYDF-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 523.33 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.44
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one?

The IUPAC name of 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one (CID 161221813) is 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one.

What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one?

The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one is C=C(C)C(CC=C(C)C)Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1O)CC2=O.C=C(C)C(CC=C(C)C)Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1OC)CC2=O.C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c2c1OC(c1ccc(O)cc1O)CC2=O.C=C(C)C(CCC(C)(C)O)Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1O)CC2=O.C=C(C)CCc1c(O)cc(OC)c2c1OC(c1ccc(O)cc1O)CC2=O.

What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one?

The InChIKey is UXPPHQMAXQPYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30O6.C25H30O7.C25H28O6.C21H22O6/c1-14(2)6-7-16(15(3)4)10-19-20(28)12-21(29)25-22(30)13-24(32-26(19)25)18-9-8-17(27)11-23(18)31-5;1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28;1-13(2)14(7-8-25(3,4)31)9-17-19(28)11-20(29)23-21(30)12-22(32-24(17)23)16-6-5-15(26)10-18(16)27;1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27;1-11(2)4-6-14-16(24)9-19(26-3)20-17(25)10-18(27-21(14)20)13-7-5-12(22)8-15(13)23/h6,8-9,11-12,16,24,27-29H,3,7,10,13H2,1-2,4-5H3;6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3;5-6,10-11,14,22,26-29,31H,1,7-9,12H2,2-4H3;5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3;5,7-9,18,22-24H,1,4,6,10H2,2-3H3.

What are the key properties of 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one?

5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one has a molecular weight of 2114.44 g/mol, XLogP of 25.05, 32 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(3-methylbut-3-enyl)-2,3-dihydrochromen-4-one;2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 161221813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161221813 — identifiers, structure, computed properties (public domain)

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