[4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate

C34H30O5 — CID 155628430

About [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate

[4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 155628430) has the molecular formula C34H30O5 and a molecular weight of 518.61 g/mol. Its IUPAC name is [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 155628430
• Molecular Formula: C34H30O5
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.21
• IUPAC Name: [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate
• SMILES: C=CC(=O)OCCc1ccc(-c2ccc(COc3ccc(-c4ccc(OC(=O)C(=C)C)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C34H30O5/c1-4-33(35)37-22-21-25-5-9-27(10-6-25)28-11-7-26(8-12-28)23-38-31-17-13-29(14-18-31)30-15-19-32(20-16-30)39-34(36)24(2)3/h4-20H,1-2,21-23H2,3H3
• InChIKey: YXOGWZGCAMQSHT-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate (CID 155628430) is [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate is C=CC(=O)OCCc1ccc(-c2ccc(COc3ccc(-c4ccc(OC(=O)C(=C)C)cc4)cc3)cc2)cc1.

What is the InChIKey of [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate?

The InChIKey is YXOGWZGCAMQSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O5/c1-4-33(35)37-22-21-25-5-9-27(10-6-25)28-11-7-26(8-12-28)23-38-31-17-13-29(14-18-31)30-15-19-32(20-16-30)39-34(36)24(2)3/h4-20H,1-2,21-23H2,3H3.

What are the key properties of [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate?

[4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 518.61 g/mol, XLogP of 7.35, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]methoxy]phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155628430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).