trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol

C13H18O2 — CID 102735342

IUPACtrans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
SMILESCCc1ccccc1O[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H18O2/c1-2-10-6-3-4-8-12(10)15-13-9-5-7-11(13)14/h3-4,6,8,11,13-14H,2,5,7,9H2,1H3/t11-,13-/m1/s1
InChIKeyBTXHJXXUHMTDSJ-DGCLKSJQSA-N
MW206.29 g/mol
LogP2.54
Rot. Bonds3

About trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol

trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol (PubChem CID 102735342) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
PubChem CID102735342
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Nametrans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
SMILESCCc1ccccc1O[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H18O2/c1-2-10-6-3-4-8-12(10)15-13-9-5-7-11(13)14/h3-4,6,8,11,13-14H,2,5,7,9H2,1H3/t11-,13-/m1/s1
InChIKeyBTXHJXXUHMTDSJ-DGCLKSJQSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
CID 43292906
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-hydroxycyclopentyl)oxybenzaldehyde
CID 60886689
3-(2-ethylphenoxy)cyclobutan-1-ol
CID 66366906
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328
2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60877757
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol (CID 102735342) is trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol is CCc1ccccc1O[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol?
The InChIKey is BTXHJXXUHMTDSJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-10-6-3-4-8-12(10)15-13-9-5-7-11(13)14/h3-4,6,8,11,13-14H,2,5,7,9H2,1H3/t11-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol?
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).