(E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol

C35H45FO — CID 58184034

About (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol

(E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol (PubChem CID 58184034) has the molecular formula C35H45FO and a molecular weight of 500.74 g/mol. Its IUPAC name is (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol.

Molecular Properties

• Compound Name: (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol
• PubChem CID: 58184034
• Molecular Formula: C35H45FO
• Molecular Weight: 500.74 g/mol
• Exact Mass: 500.35
• IUPAC Name: (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol
• SMILES: CCc1ccc(-c2c(C)cc(C(CC)(CC)c3ccc(/C=C/C(O)(CC)CC)c(C)c3)cc2C)cc1F
• InChI: InChI=1S/C35H45FO/c1-9-27-14-15-29(23-32(27)36)33-25(7)21-31(22-26(33)8)35(12-4,13-5)30-17-16-28(24(6)20-30)18-19-34(37,10-2)11-3/h14-23,37H,9-13H2,1-8H3/b19-18+
• InChIKey: JVIBPDIKNUGQBG-VHEBQXMUSA-N
• XLogP: 9.65
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.74
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol?

The IUPAC name of (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol (CID 58184034) is (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol.

What is the SMILES notation for (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol?

The canonical SMILES for (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol is CCc1ccc(-c2c(C)cc(C(CC)(CC)c3ccc(/C=C/C(O)(CC)CC)c(C)c3)cc2C)cc1F.

What is the InChIKey of (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol?

The InChIKey is JVIBPDIKNUGQBG-VHEBQXMUSA-N. The full InChI is InChI=1S/C35H45FO/c1-9-27-14-15-29(23-32(27)36)33-25(7)21-31(22-26(33)8)35(12-4,13-5)30-17-16-28(24(6)20-30)18-19-34(37,10-2)11-3/h14-23,37H,9-13H2,1-8H3/b19-18+.

What are the key properties of (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol?

(E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol has a molecular weight of 500.74 g/mol, XLogP of 9.65, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-ethyl-1-[4-[3-[4-(4-ethyl-3-fluorophenyl)-3,5-dimethylphenyl]pentan-3-yl]-2-methylphenyl]pent-1-en-3-ol is sourced from PubChem (CID 58184034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).