(2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol

C16H22F2O2 — CID 167199971

IUPAC(2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol
SMILESC[C@@H](CO)COc1ccc(C2CCCCC2)c(F)c1F
InChIInChI=1S/C16H22F2O2/c1-11(9-19)10-20-14-8-7-13(15(17)16(14)18)12-5-3-2-4-6-12/h7-8,11-12,19H,2-6,9-10H2,1H3/t11-/m0/s1
InChIKeyHQGISPLTLSCNGJ-NSHDSACASA-N
MW284.35 g/mol
LogP4.02
Rot. Bonds5

About (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol

(2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol (PubChem CID 167199971) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol
PubChem CID167199971
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol
SMILESC[C@@H](CO)COc1ccc(C2CCCCC2)c(F)c1F
InChIInChI=1S/C16H22F2O2/c1-11(9-19)10-20-14-8-7-13(15(17)16(14)18)12-5-3-2-4-6-12/h7-8,11-12,19H,2-6,9-10H2,1H3/t11-/m0/s1
InChIKeyHQGISPLTLSCNGJ-NSHDSACASA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2,3-difluoro-4-propoxybenzene
CID 90131075
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
1-cyclopentyl-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282573
2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorophenoxy]ethane-1,1-diol
CID 178066806
1-cyclobutyloxy-4-cyclopentyl-2,3-difluorobenzene
CID 153282478
1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063
2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene
CID 90128781
1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
CID 162516345
1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene
CID 159997801
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
4-cyclohexyl-2,3-difluorophenol
CID 134218235
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 175685885

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol (CID 167199971) is (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol is C[C@@H](CO)COc1ccc(C2CCCCC2)c(F)c1F.
What is the InChIKey of (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol?
The InChIKey is HQGISPLTLSCNGJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H22F2O2/c1-11(9-19)10-20-14-8-7-13(15(17)16(14)18)12-5-3-2-4-6-12/h7-8,11-12,19H,2-6,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol?
(2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol has a molecular weight of 284.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-cyclohexyl-2,3-difluorophenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 167199971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).