[2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate

C32H32O7 — CID 155215495

About [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate

[2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate (PubChem CID 155215495) has the molecular formula C32H32O7 and a molecular weight of 528.60 g/mol. Its IUPAC name is [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

• Compound Name: [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
• PubChem CID: 155215495
• Molecular Formula: C32H32O7
• Molecular Weight: 528.60 g/mol
• Exact Mass: 528.21
• IUPAC Name: [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
• SMILES: C=C(COC)OOc1ccc(C=Cc2ccc(-c3ccc(C(=C)CO)cc3)c(OC(=O)C(=C)COC)c2)cc1
• InChI: InChI=1S/C32H32O7/c1-22(19-33)27-11-13-28(14-12-27)30-17-10-26(18-31(30)37-32(34)23(2)20-35-4)7-6-25-8-15-29(16-9-25)39-38-24(3)21-36-5/h6-18,33H,1-3,19-21H2,4-5H3
• InChIKey: AEPPVMGZKUUCCA-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.60
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate?

The IUPAC name of [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate (CID 155215495) is [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate.

What is the SMILES notation for [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate?

The canonical SMILES for [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate is C=C(COC)OOc1ccc(C=Cc2ccc(-c3ccc(C(=C)CO)cc3)c(OC(=O)C(=C)COC)c2)cc1.

What is the InChIKey of [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate?

The InChIKey is AEPPVMGZKUUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O7/c1-22(19-33)27-11-13-28(14-12-27)30-17-10-26(18-31(30)37-32(34)23(2)20-35-4)7-6-25-8-15-29(16-9-25)39-38-24(3)21-36-5/h6-18,33H,1-3,19-21H2,4-5H3.

What are the key properties of [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate?

[2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate has a molecular weight of 528.60 g/mol, XLogP of 6.11, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(3-hydroxyprop-1-en-2-yl)phenyl]-5-[2-[4-(3-methoxyprop-1-en-2-ylperoxy)phenyl]ethenyl]phenyl] 2-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 155215495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).