trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol

C11H12Cl2O2 — CID 102735470

IUPACtrans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O2/c12-7-3-1-4-8(13)11(7)15-10-6-2-5-9(10)14/h1,3-4,9-10,14H,2,5-6H2/t9-,10-/m0/s1
InChIKeyVPUOENZWLLBESU-UWVGGRQHSA-N
MW247.12 g/mol
LogP3.29
Rot. Bonds2

About trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol

trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol (PubChem CID 102735470) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
PubChem CID102735470
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Nametrans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O2/c12-7-3-1-4-8(13)11(7)15-10-6-2-5-9(10)14/h1,3-4,9-10,14H,2,5-6H2/t9-,10-/m0/s1
InChIKeyVPUOENZWLLBESU-UWVGGRQHSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
CID 112608552
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
4-(2,6-dichlorophenoxy)pyrrolidin-3-ol
CID 13320223
2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol
CID 114318587
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
3-bromo-2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 61391436
3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 112611768
trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
CID 102735335
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 102735372
2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 60877836
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol (CID 102735470) is trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Oc1c(Cl)cccc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol?
The InChIKey is VPUOENZWLLBESU-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-7-3-1-4-8(13)11(7)15-10-6-2-5-9(10)14/h1,3-4,9-10,14H,2,5-6H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol has a molecular weight of 247.12 g/mol, XLogP of 3.29, 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-(2,6-dichlorophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).