10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C34H26O7 — CID 75492384

About 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 75492384) has the molecular formula C34H26O7 and a molecular weight of 546.58 g/mol. Its IUPAC name is 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

• Compound Name: 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
• PubChem CID: 75492384
• Molecular Formula: C34H26O7
• Molecular Weight: 546.58 g/mol
• Exact Mass: 546.17
• IUPAC Name: 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
• SMILES: O=C1CC(c2ccc(OCCc3ccc4c(c3)CCO4)cc2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1
• InChI: InChI=1S/C34H26O7/c35-24-6-2-22(3-7-24)28-19-40-34-26(33(28)37)10-12-30-32(34)27(18-31(36)41-30)21-4-8-25(9-5-21)38-15-13-20-1-11-29-23(17-20)14-16-39-29/h1-12,17,19,27,35H,13-16,18H2
• InChIKey: ZVTIZNGGKBTZOC-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 95.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The IUPAC name of 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 75492384) is 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

What is the SMILES notation for 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The canonical SMILES for 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is O=C1CC(c2ccc(OCCc3ccc4c(c3)CCO4)cc2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1.

What is the InChIKey of 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The InChIKey is ZVTIZNGGKBTZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O7/c35-24-6-2-22(3-7-24)28-19-40-34-26(33(28)37)10-12-30-32(34)27(18-31(36)41-30)21-4-8-25(9-5-21)38-15-13-20-1-11-29-23(17-20)14-16-39-29/h1-12,17,19,27,35H,13-16,18H2.

What are the key properties of 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 546.58 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 75492384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).