5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol

C32H33NO3 — CID 11784901

About 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol

5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol (PubChem CID 11784901) has the molecular formula C32H33NO3 and a molecular weight of 479.62 g/mol. Its IUPAC name is 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol
• PubChem CID: 11784901
• Molecular Formula: C32H33NO3
• Molecular Weight: 479.62 g/mol
• Exact Mass: 479.25
• IUPAC Name: 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol
• SMILES: COc1ccc(/C(=C(/C)c2ccc(OCCN3CCCC3)cc2)c2cccc3cc(O)ccc23)cc1
• InChI: InChI=1S/C32H33NO3/c1-23(24-8-15-29(16-9-24)36-21-20-33-18-3-4-19-33)32(25-10-13-28(35-2)14-11-25)31-7-5-6-26-22-27(34)12-17-30(26)31/h5-17,22,34H,3-4,18-21H2,1-2H3/b32-23+
• InChIKey: LLUTZIPMKGJQEK-AWSUPERCSA-N
• XLogP: 7.01
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.62
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol?

The IUPAC name of 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol (CID 11784901) is 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol.

What is the SMILES notation for 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol?

The canonical SMILES for 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol is COc1ccc(/C(=C(/C)c2ccc(OCCN3CCCC3)cc2)c2cccc3cc(O)ccc23)cc1.

What is the InChIKey of 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol?

The InChIKey is LLUTZIPMKGJQEK-AWSUPERCSA-N. The full InChI is InChI=1S/C32H33NO3/c1-23(24-8-15-29(16-9-24)36-21-20-33-18-3-4-19-33)32(25-10-13-28(35-2)14-11-25)31-7-5-6-26-22-27(34)12-17-30(26)31/h5-17,22,34H,3-4,18-21H2,1-2H3/b32-23+.

What are the key properties of 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol?

5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol has a molecular weight of 479.62 g/mol, XLogP of 7.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-1-(4-methoxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-1-enyl]naphthalen-2-ol is sourced from PubChem (CID 11784901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).