(2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C34H26O6 — CID 124879545

About (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 124879545) has the molecular formula C34H26O6 and a molecular weight of 530.58 g/mol. Its IUPAC name is (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 124879545
• Molecular Formula: C34H26O6
• Molecular Weight: 530.58 g/mol
• Exact Mass: 530.17
• IUPAC Name: (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: O=C1C[C@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1
• InChI: InChI=1S/C34H26O6/c35-31-20-26(24-8-4-5-9-28(24)38-16-14-22-10-12-27-23(18-22)15-17-37-27)32-29(39-31)13-11-25-33(36)30(40-34(25)32)19-21-6-2-1-3-7-21/h1-13,18-19,26H,14-17,20H2/b30-19-/t26-/m1/s1
• InChIKey: ULSLKBBEHSPZGM-KAECXJSPSA-N
• XLogP: 6.30
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.58
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 124879545) is (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is O=C1C[C@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1.

What is the InChIKey of (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is ULSLKBBEHSPZGM-KAECXJSPSA-N. The full InChI is InChI=1S/C34H26O6/c35-31-20-26(24-8-4-5-9-28(24)38-16-14-22-10-12-27-23(18-22)15-17-37-27)32-29(39-31)13-11-25-33(36)30(40-34(25)32)19-21-6-2-1-3-7-21/h1-13,18-19,26H,14-17,20H2/b30-19-/t26-/m1/s1.

What are the key properties of (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

(2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 530.58 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,9R)-2-benzylidene-9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 124879545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).