2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one

C32H36O7 — CID 54705263

About 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one

2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one (PubChem CID 54705263) has the molecular formula C32H36O7 and a molecular weight of 532.63 g/mol. Its IUPAC name is 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one.

Molecular Properties

• Compound Name: 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one
• PubChem CID: 54705263
• Molecular Formula: C32H36O7
• Molecular Weight: 532.63 g/mol
• Exact Mass: 532.25
• IUPAC Name: 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one
• SMILES: CC(C)c1cc(C(C)C)c2oc(=O)c(C3c4c(c5cc(C(C)C)cc(C(C)C)c5oc4=O)OC3O)c(O)c2c1
• InChI: InChI=1S/C32H36O7/c1-13(2)17-9-19(15(5)6)27-21(11-17)26(33)24(31(35)37-27)23-25-29(39-30(23)34)22-12-18(14(3)4)10-20(16(7)8)28(22)38-32(25)36/h9-16,23,30,33-34H,1-8H3
• InChIKey: JIBJNXUEBKUATR-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 110.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.63
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one?

The IUPAC name of 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one (CID 54705263) is 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one.

What is the SMILES notation for 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one?

The canonical SMILES for 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one is CC(C)c1cc(C(C)C)c2oc(=O)c(C3c4c(c5cc(C(C)C)cc(C(C)C)c5oc4=O)OC3O)c(O)c2c1.

What is the InChIKey of 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one?

The InChIKey is JIBJNXUEBKUATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O7/c1-13(2)17-9-19(15(5)6)27-21(11-17)26(33)24(31(35)37-27)23-25-29(39-30(23)34)22-12-18(14(3)4)10-20(16(7)8)28(22)38-32(25)36/h9-16,23,30,33-34H,1-8H3.

What are the key properties of 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one?

2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one has a molecular weight of 532.63 g/mol, XLogP of 6.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-3-[4-hydroxy-2-oxo-6,8-di(propan-2-yl)chromen-3-yl]-6,8-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]chromen-4-one is sourced from PubChem (CID 54705263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).