4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol

C23H23F3O2 — CID 70820076

IUPAC4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol
SMILESCCOCc1ccc(C2CCC(C#Cc3ccc(O)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C23H23F3O2/c1-2-28-14-16-6-11-19(20(24)13-16)17-7-3-15(4-8-17)5-9-18-10-12-21(27)23(26)22(18)25/h6,10-13,15,17,27H,2-4,7-8,14H2,1H3
InChIKeyUOCVYDHGAVXTQU-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.67
Rot. Bonds4

About 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol

4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol (PubChem CID 70820076) has the molecular formula C23H23F3O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol
PubChem CID70820076
Molecular FormulaC23H23F3O2
Molecular Weight388.43 g/mol
Exact Mass388.17
IUPAC Name4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol
SMILESCCOCc1ccc(C2CCC(C#Cc3ccc(O)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C23H23F3O2/c1-2-28-14-16-6-11-19(20(24)13-16)17-7-3-15(4-8-17)5-9-18-10-12-21(27)23(26)22(18)25/h6,10-13,15,17,27H,2-4,7-8,14H2,1H3
InChIKeyUOCVYDHGAVXTQU-UHFFFAOYSA-N
XLogP5.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol 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

1-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluoro-4-methylbenzene
CID 58140691
4-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol
CID 70820074
1-[4-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70961295
6-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethynyl]-1,2,3,8-tetrafluoronaphthalene
CID 139846733
2,3-difluoro-1-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]cyclohexyl]-4-pentoxybenzene
CID 58140566
1-[4-[[4-(ethoxymethyl)-2-fluorophenyl]methoxy]cyclohexyl]-2,3-difluoro-4-(4-methoxycyclohexyl)benzene
CID 70946173
1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
CID 58141163
(4-cyclopropyl-3-fluorophenyl)methanol;ethane
CID 144930453
2-[2,3-difluoro-4-[4-[2-(2-fluoro-4-methoxyphenyl)ethynyl]cyclohexyl]phenyl]oxirane
CID 88997603
1-but-3-enoxy-2,3-difluoro-4-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]cyclohexyl]benzene
CID 58140572
1-(4-cyclopropylbuta-1,3-diynyl)-4-ethyl-2-fluorobenzene
CID 146616776
[4-(ethoxymethyl)-2-fluorophenyl] 4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]benzoate
CID 89124813

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol?
The IUPAC name of 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol (CID 70820076) is 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol.
What is the SMILES notation for 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol?
The canonical SMILES for 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol is CCOCc1ccc(C2CCC(C#Cc3ccc(O)c(F)c3F)CC2)c(F)c1.
What is the InChIKey of 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol?
The InChIKey is UOCVYDHGAVXTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3O2/c1-2-28-14-16-6-11-19(20(24)13-16)17-7-3-15(4-8-17)5-9-18-10-12-21(27)23(26)22(18)25/h6,10-13,15,17,27H,2-4,7-8,14H2,1H3.
What are the key properties of 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol?
4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol has a molecular weight of 388.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(ethoxymethyl)-2-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol is sourced from PubChem (CID 70820076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).