5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane

C32H35F3O2 — CID 67740503

IUPAC5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane
SMILESCCCCCC1CCC(/C=C/c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CO1
InChIInChI=1S/C32H35F3O2/c1-3-5-6-7-27-17-9-22(21-37-27)8-10-25-15-16-26(20-29(25)33)23-11-13-24(14-12-23)28-18-19-30(36-4-2)32(35)31(28)34/h8,10-16,18-20,22,27H,3-7,9,17,21H2,1-2H3/b10-8+
InChIKeyBNYAKCBNIWYFTJ-CSKARUKUSA-N
MW508.62 g/mol
LogP9.23
Rot. Bonds10

About 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane

5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane (PubChem CID 67740503) has the molecular formula C32H35F3O2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane.

Molecular Properties

Compound Name5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane
PubChem CID67740503
Molecular FormulaC32H35F3O2
Molecular Weight508.62 g/mol
Exact Mass508.26
IUPAC Name5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane
SMILESCCCCCC1CCC(/C=C/c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CO1
InChIInChI=1S/C32H35F3O2/c1-3-5-6-7-27-17-9-22(21-37-27)8-10-25-15-16-26(20-29(25)33)23-11-13-24(14-12-23)28-18-19-30(36-4-2)32(35)31(28)34/h8,10-16,18-20,22,27H,3-7,9,17,21H2,1-2H3/b10-8+
InChIKeyBNYAKCBNIWYFTJ-CSKARUKUSA-N
XLogP9.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane 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-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]ethyl]-5-prop-1-enyloxane
CID 76815966
5-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane
CID 126765439
2-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethyl]-5-methyloxane
CID 70866846
2-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]phenyl]ethyl]-5-[(E)-prop-1-enyl]oxane
CID 58535779
5-[[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-2-pentyloxane
CID 67741049
2-[4-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-3-fluorophenyl]-5-prop-1-enyloxane
CID 77344030
2-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-2-fluorophenyl]-5-ethenyloxane
CID 67732567
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-3-fluorophenyl]-2-pentyloxane
CID 67733137
2-[4-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-3-fluorophenyl]-5-prop-1-enyloxane
CID 77344034
2-but-3-enyl-5-[4-[4-(2,3-difluoro-4-nonoxyphenyl)phenyl]-2-fluorophenyl]oxane
CID 67733836
2-but-3-enyl-5-[4-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2-fluorophenyl]oxane
CID 67733822
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane?
The IUPAC name of 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane (CID 67740503) is 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane.
What is the SMILES notation for 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane?
The canonical SMILES for 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane is CCCCCC1CCC(/C=C/c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CO1.
What is the InChIKey of 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane?
The InChIKey is BNYAKCBNIWYFTJ-CSKARUKUSA-N. The full InChI is InChI=1S/C32H35F3O2/c1-3-5-6-7-27-17-9-22(21-37-27)8-10-25-15-16-26(20-29(25)33)23-11-13-24(14-12-23)28-18-19-30(36-4-2)32(35)31(28)34/h8,10-16,18-20,22,27H,3-7,9,17,21H2,1-2H3/b10-8+.
What are the key properties of 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane?
5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane has a molecular weight of 508.62 g/mol, XLogP of 9.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethenyl]-2-pentyloxane is sourced from PubChem (CID 67740503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).