trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol

C14H20O2 — CID 102732480

IUPACtrans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
SMILESCCc1ccccc1O[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H20O2/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3,5,7,9,12,14-15H,2,4,6,8,10H2,1H3/t12-,14-/m0/s1
InChIKeyXTXBHTGFSVYGDN-JSGCOSHPSA-N
MW220.31 g/mol
LogP2.93
Rot. Bonds3

About trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol

trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol (PubChem CID 102732480) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
PubChem CID102732480
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nametrans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
SMILESCCc1ccccc1O[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H20O2/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3,5,7,9,12,14-15H,2,4,6,8,10H2,1H3/t12-,14-/m0/s1
InChIKeyXTXBHTGFSVYGDN-JSGCOSHPSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
CID 43292906
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
3-(2-ethylphenoxy)cyclobutan-1-ol
CID 66366906
2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886689
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid
CID 117054327
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406
2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 107695812
2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60877757

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol (CID 102732480) is trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol is CCc1ccccc1O[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol?
The InChIKey is XTXBHTGFSVYGDN-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3,5,7,9,12,14-15H,2,4,6,8,10H2,1H3/t12-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol?
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 102732480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).