[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol

C23H27F3O2 — CID 58141205

IUPAC[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol
SMILESCCOc1ccc(C2CCC(CCc3ccc(CO)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C23H27F3O2/c1-2-28-19-11-12-20(21(24)13-19)16-6-3-15(4-7-16)5-8-17-9-10-18(14-27)23(26)22(17)25/h9-13,15-16,27H,2-8,14H2,1H3
InChIKeyXOABXNNYBMAGJV-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.90
Rot. Bonds7

About [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol

[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol (PubChem CID 58141205) has the molecular formula C23H27F3O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol
PubChem CID58141205
Molecular FormulaC23H27F3O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol
SMILESCCOc1ccc(C2CCC(CCc3ccc(CO)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C23H27F3O2/c1-2-28-19-11-12-20(21(24)13-19)16-6-3-15(4-7-16)5-8-17-9-10-18(14-27)23(26)22(17)25/h9-13,15-16,27H,2-8,14H2,1H3
InChIKeyXOABXNNYBMAGJV-UHFFFAOYSA-N
XLogP5.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol 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-but-3-enoxy-2-fluorophenyl)cyclohexyl]ethyl]-4-(4-butoxycyclohexyl)-2,3-difluorobenzene
CID 89429790
1-[2-[4-(4-butoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluoro-4-(4-propoxycyclohexen-1-yl)benzene
CID 89430015
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol
CID 70796406
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propylbenzene
CID 58141062
1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-pentylbenzene
CID 58141647
1-[4-[2-(4-but-3-enoxy-2-fluorophenyl)ethyl]cyclohexyl]-4-(4-ethoxycyclohexyl)-2,3-difluorobenzene
CID 89430258
1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 58141211
1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
CID 58141457
1-butoxy-4-[4-[2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethyl]cyclohexyl]-2,3-difluorobenzene
CID 89429702
1-[4-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856303
2-[2-(4-butylcyclohexyl)ethyl]-6-(4-ethoxy-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837341

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol?
The IUPAC name of [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol (CID 58141205) is [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol.
What is the SMILES notation for [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol?
The canonical SMILES for [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol is CCOc1ccc(C2CCC(CCc3ccc(CO)c(F)c3F)CC2)c(F)c1.
What is the InChIKey of [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol?
The InChIKey is XOABXNNYBMAGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O2/c1-2-28-19-11-12-20(21(24)13-19)16-6-3-15(4-7-16)5-8-17-9-10-18(14-27)23(26)22(17)25/h9-13,15-16,27H,2-8,14H2,1H3.
What are the key properties of [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol?
[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol has a molecular weight of 392.46 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol is sourced from PubChem (CID 58141205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).