2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

C34H30O10 — CID 162964101

About 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (PubChem CID 162964101) has the molecular formula C34H30O10 and a molecular weight of 598.60 g/mol. Its IUPAC name is 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• PubChem CID: 162964101
• Molecular Formula: C34H30O10
• Molecular Weight: 598.60 g/mol
• Exact Mass: 598.18
• IUPAC Name: 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES: CC(=CCc1c(O)cc(O)c2c1OC(c1cc3c(cc1O)OC(c1ccc(O)cc1)C3c1cc(O)cc(O)c1)CC2=O)CO
• InChI: InChI=1S/C34H30O10/c1-16(15-35)2-7-22-25(39)12-27(41)32-28(42)14-29(44-34(22)32)23-11-24-30(13-26(23)40)43-33(17-3-5-19(36)6-4-17)31(24)18-8-20(37)10-21(38)9-18/h2-6,8-13,29,31,33,35-41H,7,14-15H2,1H3
• InChIKey: BTXJGRSLSBXOGE-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 177.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	598.60
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?

The IUPAC name of 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one (CID 162964101) is 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.

What is the SMILES notation for 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?

The canonical SMILES for 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is CC(=CCc1c(O)cc(O)c2c1OC(c1cc3c(cc1O)OC(c1ccc(O)cc1)C3c1cc(O)cc(O)c1)CC2=O)CO.

What is the InChIKey of 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?

The InChIKey is BTXJGRSLSBXOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O10/c1-16(15-35)2-7-22-25(39)12-27(41)32-28(42)14-29(44-34(22)32)23-11-24-30(13-26(23)40)43-33(17-3-5-19(36)6-4-17)31(24)18-8-20(37)10-21(38)9-18/h2-6,8-13,29,31,33,35-41H,7,14-15H2,1H3.

What are the key properties of 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one?

2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one has a molecular weight of 598.60 g/mol, XLogP of 5.37, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162964101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).