(8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one

C28H32O6 — CID 10322205

About (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one

(8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one (PubChem CID 10322205) has the molecular formula C28H32O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one.

Molecular Properties

• Compound Name: (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
• PubChem CID: 10322205
• Molecular Formula: C28H32O6
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.22
• IUPAC Name: (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
• SMILES: COc1ccc([C@@H]2CC(=O)c3c(OC)c4c(c(CC=C(C)C)c3O2)OC(C)(C)C=C4)c(OC)c1
• InChI: InChI=1S/C28H32O6/c1-16(2)8-10-19-25-20(12-13-28(3,4)34-25)26(32-7)24-21(29)15-23(33-27(19)24)18-11-9-17(30-5)14-22(18)31-6/h8-9,11-14,23H,10,15H2,1-7H3/t23-/m0/s1
• InChIKey: ZENRQGPPCNYHRE-QHCPKHFHSA-N
• XLogP: 6.11
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one?

The IUPAC name of (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one (CID 10322205) is (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one.

What is the SMILES notation for (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one?

The canonical SMILES for (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one is COc1ccc([C@@H]2CC(=O)c3c(OC)c4c(c(CC=C(C)C)c3O2)OC(C)(C)C=C4)c(OC)c1.

What is the InChIKey of (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one?

The InChIKey is ZENRQGPPCNYHRE-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H32O6/c1-16(2)8-10-19-25-20(12-13-28(3,4)34-25)26(32-7)24-21(29)15-23(33-27(19)24)18-11-9-17(30-5)14-22(18)31-6/h8-9,11-14,23H,10,15H2,1-7H3/t23-/m0/s1.

What are the key properties of (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one?

(8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one has a molecular weight of 464.56 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 10322205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).