4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol

C30H24F4O3 — CID 143908952

About 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol

4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol (PubChem CID 143908952) has the molecular formula C30H24F4O3 and a molecular weight of 508.51 g/mol. Its IUPAC name is 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol.

Molecular Properties

• Compound Name: 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol
• PubChem CID: 143908952
• Molecular Formula: C30H24F4O3
• Molecular Weight: 508.51 g/mol
• Exact Mass: 508.17
• IUPAC Name: 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol
• SMILES: C=CCCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(O)cc4)c(F)c3F)cc2)c(F)c1F
• InChI: InChI=1S/C30H24F4O3/c1-2-3-4-17-36-26-16-9-21(27(31)30(26)34)18-37-23-12-7-20(8-13-23)25-15-14-24(28(32)29(25)33)19-5-10-22(35)11-6-19/h2,5-16,35H,1,3-4,17-18H2
• InChIKey: IWHIHIXNORSWNG-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.51
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol?

The IUPAC name of 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol (CID 143908952) is 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol.

What is the SMILES notation for 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol?

The canonical SMILES for 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol is C=CCCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(O)cc4)c(F)c3F)cc2)c(F)c1F.

What is the InChIKey of 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol?

The InChIKey is IWHIHIXNORSWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F4O3/c1-2-3-4-17-36-26-16-9-21(27(31)30(26)34)18-37-23-12-7-20(8-13-23)25-15-14-24(28(32)29(25)33)19-5-10-22(35)11-6-19/h2,5-16,35H,1,3-4,17-18H2.

What are the key properties of 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol?

4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol has a molecular weight of 508.51 g/mol, XLogP of 8.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol is sourced from PubChem (CID 143908952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).