1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol

C22H25F3O2 — CID 70796406

IUPAC1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol
SMILESCCOc1ccc(C2CCC(c3ccc(C(C)O)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C22H25F3O2/c1-3-27-16-8-9-18(20(23)12-16)14-4-6-15(7-5-14)19-11-10-17(13(2)26)21(24)22(19)25/h8-15,26H,3-7H2,1-2H3
InChIKeyKUVQTDPQVLDMNX-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.00
Rot. Bonds5

About 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol

1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol (PubChem CID 70796406) has the molecular formula C22H25F3O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol
PubChem CID70796406
Molecular FormulaC22H25F3O2
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol
SMILESCCOc1ccc(C2CCC(c3ccc(C(C)O)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C22H25F3O2/c1-3-27-16-8-9-18(20(23)12-16)14-4-6-15(7-5-14)19-11-10-17(13(2)26)21(24)22(19)25/h8-15,26H,3-7H2,1-2H3
InChIKeyKUVQTDPQVLDMNX-UHFFFAOYSA-N
XLogP6.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-[4-[[2,3-difluoro-4-(oxiran-2-yl)phenyl]methoxy]-2-fluorophenyl]cyclohexyl]-2,3-difluorophenyl]ethanol
CID 88967669
[4-[4-[2,3-difluoro-4-(1-hydroxyethyl)phenyl]cyclohexyl]-2,3-difluorophenyl] 4-ethoxy-2,3-difluorobenzoate
CID 88857201
[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]methanol
CID 58141205
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl] 4-ethoxy-2-fluorobenzoate
CID 89430950
1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 58141008
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
CID 58141457
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
[4-[2,3-difluoro-4-(4-prop-1-enylcyclohexyl)phenyl]cyclohexyl] 4-ethoxy-2-fluorobenzoate
CID 77471046
1-[4-[4-[[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]-2-fluorophenyl]methoxy]cyclohexyl]-2,3-difluorophenyl]ethanol
CID 88967683
1-(4-butoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89430582

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol?
The IUPAC name of 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol (CID 70796406) is 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol?
The canonical SMILES for 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol is CCOc1ccc(C2CCC(c3ccc(C(C)O)c(F)c3F)CC2)c(F)c1.
What is the InChIKey of 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol?
The InChIKey is KUVQTDPQVLDMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O2/c1-3-27-16-8-9-18(20(23)12-16)14-4-6-15(7-5-14)19-11-10-17(13(2)26)21(24)22(19)25/h8-15,26H,3-7H2,1-2H3.
What are the key properties of 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol?
1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol has a molecular weight of 378.43 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]-2,3-difluorophenyl]ethanol is sourced from PubChem (CID 70796406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).