[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate

C34H32O4 — CID 121370036

About [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate

[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate (PubChem CID 121370036) has the molecular formula C34H32O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 121370036
• Molecular Formula: C34H32O4
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.23
• IUPAC Name: [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Oc1ccc(CCc2ccc(CCc3ccc(OC(=O)C(=C)C)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C34H32O4/c1-23(2)33(35)37-29-19-11-25(12-20-29)9-15-27-17-18-28(32-8-6-5-7-31(27)32)16-10-26-13-21-30(22-14-26)38-34(36)24(3)4/h5-8,11-14,17-22H,1,3,9-10,15-16H2,2,4H3
• InChIKey: WNPYNSQGKGGXIO-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate (CID 121370036) is [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(CCc2ccc(CCc3ccc(OC(=O)C(=C)C)cc3)c3ccccc23)cc1.

What is the InChIKey of [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate?

The InChIKey is WNPYNSQGKGGXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O4/c1-23(2)33(35)37-29-19-11-25(12-20-29)9-15-27-17-18-28(32-8-6-5-7-31(27)32)16-10-26-13-21-30(22-14-26)38-34(36)24(3)4/h5-8,11-14,17-22H,1,3,9-10,15-16H2,2,4H3.

What are the key properties of [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate?

[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 504.63 g/mol, XLogP of 7.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 121370036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).