trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol

C13H17FO2 — CID 107170041

IUPACtrans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
SMILESCc1ccc(O[C@H]2CCCC[C@@H]2O)cc1F
InChIInChI=1S/C13H17FO2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h6-8,12-13,15H,2-5H2,1H3/t12-,13-/m0/s1
InChIKeyXAEMEPXXFGTIPY-STQMWFEESA-N
MW224.27 g/mol
LogP2.82
Rot. Bonds2

About trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol

trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol (PubChem CID 107170041) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
PubChem CID107170041
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Nametrans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
SMILESCc1ccc(O[C@H]2CCCC[C@@H]2O)cc1F
InChIInChI=1S/C13H17FO2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h6-8,12-13,15H,2-5H2,1H3/t12-,13-/m0/s1
InChIKeyXAEMEPXXFGTIPY-STQMWFEESA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681
3-(3-fluoro-4-methylphenoxy)oxan-4-ol
CID 107170261
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol
CID 107720122
trans-(1S,2S)-2-(4-bromo-3-methylphenoxy)cyclohexan-1-ol
CID 102732682
4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170256
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
2-(3,4-dimethylphenoxy)cyclobutan-1-ol
CID 164664143
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
CID 63472880
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
4-(3-chloro-2-methoxycyclobutyl)oxy-2-fluoro-1-methylbenzene
CID 107171631

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol (CID 107170041) is trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol is Cc1ccc(O[C@H]2CCCC[C@@H]2O)cc1F.
What is the InChIKey of trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The InChIKey is XAEMEPXXFGTIPY-STQMWFEESA-N. The full InChI is InChI=1S/C13H17FO2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h6-8,12-13,15H,2-5H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 107170041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).