1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol

C25H36F2O2 — CID 151722101

IUPAC1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol
SMILESCCCC1CCC(/C=C/C2CCC(O)(c3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C25H36F2O2/c1-3-5-18-6-8-19(9-7-18)10-11-20-14-16-25(28,17-15-20)21-12-13-22(29-4-2)24(27)23(21)26/h10-13,18-20,28H,3-9,14-17H2,1-2H3/b11-10+
InChIKeyRIUMVPWAUAPVJO-ZHACJKMWSA-N
MW406.56 g/mol
LogP6.90
Rot. Bonds7

About 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol

1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol (PubChem CID 151722101) has the molecular formula C25H36F2O2 and a molecular weight of 406.56 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol
PubChem CID151722101
Molecular FormulaC25H36F2O2
Molecular Weight406.56 g/mol
Exact Mass406.27
IUPAC Name1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol
SMILESCCCC1CCC(/C=C/C2CCC(O)(c3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C25H36F2O2/c1-3-5-18-6-8-19(9-7-18)10-11-20-14-16-25(28,17-15-20)21-12-13-22(29-4-2)24(27)23(21)26/h10-13,18-20,28H,3-9,14-17H2,1-2H3/b11-10+
InChIKeyRIUMVPWAUAPVJO-ZHACJKMWSA-N
XLogP6.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1-difluoro-3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]propoxy]-4-ethoxy-2,3-difluorobenzene
CID 59049009
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967247
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene
CID 67992192
1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
CID 107512064
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
2-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967582
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
1-[2,3-difluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886065
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118886179

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol?
The IUPAC name of 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol (CID 151722101) is 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol?
The canonical SMILES for 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol is CCCC1CCC(/C=C/C2CCC(O)(c3ccc(OCC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol?
The InChIKey is RIUMVPWAUAPVJO-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H36F2O2/c1-3-5-18-6-8-19(9-7-18)10-11-20-14-16-25(28,17-15-20)21-12-13-22(29-4-2)24(27)23(21)26/h10-13,18-20,28H,3-9,14-17H2,1-2H3/b11-10+.
What are the key properties of 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol?
1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol has a molecular weight of 406.56 g/mol, XLogP of 6.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol is sourced from PubChem (CID 151722101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).