1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol

C17H24F2O2 — CID 114931734

IUPAC1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
SMILESCCOC(C(O)Cc1c(F)cccc1F)C1CCCCC1
InChIInChI=1S/C17H24F2O2/c1-2-21-17(12-7-4-3-5-8-12)16(20)11-13-14(18)9-6-10-15(13)19/h6,9-10,12,16-17,20H,2-5,7-8,11H2,1H3
InChIKeyUEEKTLUNLGKBGY-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.85
Rot. Bonds6

About 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol

1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol (PubChem CID 114931734) has the molecular formula C17H24F2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
PubChem CID114931734
Molecular FormulaC17H24F2O2
Molecular Weight298.37 g/mol
Exact Mass298.17
IUPAC Name1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
SMILESCCOC(C(O)Cc1c(F)cccc1F)C1CCCCC1
InChIInChI=1S/C17H24F2O2/c1-2-21-17(12-7-4-3-5-8-12)16(20)11-13-14(18)9-6-10-15(13)19/h6,9-10,12,16-17,20H,2-5,7-8,11H2,1H3
InChIKeyUEEKTLUNLGKBGY-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
CID 114931509
1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
CID 114932668
1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932745
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
CID 106942130
2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
CID 116756591
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
[2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)ethyl]hydrazine
CID 105278882
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol (CID 114931734) is 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol is CCOC(C(O)Cc1c(F)cccc1F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol?
The InChIKey is UEEKTLUNLGKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2/c1-2-21-17(12-7-4-3-5-8-12)16(20)11-13-14(18)9-6-10-15(13)19/h6,9-10,12,16-17,20H,2-5,7-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol?
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol has a molecular weight of 298.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol is sourced from PubChem (CID 114931734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).