1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene

C25H25FO2 — CID 69031311

IUPAC1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
SMILESC=CCCCOc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3)cc2)cc1
InChIInChI=1S/C25H25FO2/c1-3-5-6-17-28-23-14-11-20(12-15-23)19-7-9-21(10-8-19)22-13-16-25(27-4-2)24(26)18-22/h3,7-16,18H,1,4-6,17H2,2H3
InChIKeyUXTDKTJMBQEOKY-UHFFFAOYSA-N
MW376.47 g/mol
LogP6.90
Rot. Bonds9

About 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene

1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene (PubChem CID 69031311) has the molecular formula C25H25FO2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
PubChem CID69031311
Molecular FormulaC25H25FO2
Molecular Weight376.47 g/mol
Exact Mass376.18
IUPAC Name1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
SMILESC=CCCCOc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3)cc2)cc1
InChIInChI=1S/C25H25FO2/c1-3-5-6-17-28-23-14-11-20(12-15-23)19-7-9-21(10-8-19)22-13-16-25(27-4-2)24(26)18-22/h3,7-16,18H,1,4-6,17H2,2H3
InChIKeyUXTDKTJMBQEOKY-UHFFFAOYSA-N
XLogP6.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-(3-fluoro-4-tridecoxyphenyl)-4-[4-[2-(4-hept-6-enoxyphenyl)ethenyl]phenyl]benzene
CID 88591310
2,3-difluoro-1-[[4-(3-fluoro-4-pent-4-enoxyphenyl)phenyl]methoxy]-4-methylbenzene
CID 58140653
2-fluoro-1-[2-fluoro-4-(4-octoxyphenyl)phenoxy]-4-(4-octoxyphenyl)benzene
CID 56630470
1-[2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429787
1-[(E)-2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethenyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429766
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
[4-[4-(4-butoxyphenyl)-2,3-difluorophenyl]phenyl] 3-fluoro-4-pent-4-enoxybenzoate
CID 89430936
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene
CID 58140954
4-[4-[4-(4-but-3-enylcyclohexyl)phenyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459506
1-[4-[(4-but-3-enoxy-3-fluorophenoxy)methyl]phenyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89430722
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711
2-fluoro-4-(4-undec-10-enoxyphenyl)benzoic acid
CID 139786123

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene (CID 69031311) is 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene is C=CCCCOc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3)cc2)cc1.
What is the InChIKey of 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene?
The InChIKey is UXTDKTJMBQEOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FO2/c1-3-5-6-17-28-23-14-11-20(12-15-23)19-7-9-21(10-8-19)22-13-16-25(27-4-2)24(26)18-22/h3,7-16,18H,1,4-6,17H2,2H3.
What are the key properties of 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene?
1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene has a molecular weight of 376.47 g/mol, XLogP of 6.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene is sourced from PubChem (CID 69031311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).