1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol

C26H40F2O2 — CID 23118816

IUPAC1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol
SMILESCCCC1CCC(C2CCC(CC(O)c3c(C)cc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C26H40F2O2/c1-4-6-18-7-11-20(12-8-18)21-13-9-19(10-14-21)16-22(29)24-17(3)15-23(30-5-2)25(27)26(24)28/h15,18-22,29H,4-14,16H2,1-3H3
InChIKeyQDNVZWWZHLDBRN-UHFFFAOYSA-N
MW422.60 g/mol
LogP7.51
Rot. Bonds8

About 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol

1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol (PubChem CID 23118816) has the molecular formula C26H40F2O2 and a molecular weight of 422.60 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol
PubChem CID23118816
Molecular FormulaC26H40F2O2
Molecular Weight422.60 g/mol
Exact Mass422.30
IUPAC Name1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol
SMILESCCCC1CCC(C2CCC(CC(O)c3c(C)cc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C26H40F2O2/c1-4-6-18-7-11-20(12-8-18)21-13-9-19(10-14-21)16-22(29)24-17(3)15-23(30-5-2)25(27)26(24)28/h15,18-22,29H,4-14,16H2,1-3H3
InChIKeyQDNVZWWZHLDBRN-UHFFFAOYSA-N
XLogP7.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 131991201
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
1-ethoxy-2-fluoro-5-methyl-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
CID 59592268
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
CID 154607415
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-[4-(4-propylcyclohexyl)cyclohexyl]methanone
CID 118287325
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 126626464
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
2-[4-[1-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]propan-2-yl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 130283220
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol?
The IUPAC name of 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol (CID 23118816) is 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol.
What is the SMILES notation for 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol?
The canonical SMILES for 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol is CCCC1CCC(C2CCC(CC(O)c3c(C)cc(OCC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol?
The InChIKey is QDNVZWWZHLDBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40F2O2/c1-4-6-18-7-11-20(12-8-18)21-13-9-19(10-14-21)16-22(29)24-17(3)15-23(30-5-2)25(27)26(24)28/h15,18-22,29H,4-14,16H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol?
1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol has a molecular weight of 422.60 g/mol, XLogP of 7.51, 8 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-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol is sourced from PubChem (CID 23118816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).