trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol

C14H20O2 — CID 102735335

IUPACtrans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
SMILESCc1ccc(C)c(O[C@H]2CCC[C@@H]2O)c1C
InChIInChI=1S/C14H20O2/c1-9-7-8-10(2)14(11(9)3)16-13-6-4-5-12(13)15/h7-8,12-13,15H,4-6H2,1-3H3/t12-,13-/m0/s1
InChIKeyDPKSPJIXZQIEKK-STQMWFEESA-N
MW220.31 g/mol
LogP2.90
Rot. Bonds2

About trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol

trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol (PubChem CID 102735335) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
PubChem CID102735335
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nametrans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
SMILESCc1ccc(C)c(O[C@H]2CCC[C@@H]2O)c1C
InChIInChI=1S/C14H20O2/c1-9-7-8-10(2)14(11(9)3)16-13-6-4-5-12(13)15/h7-8,12-13,15H,4-6H2,1-3H3/t12-,13-/m0/s1
InChIKeyDPKSPJIXZQIEKK-STQMWFEESA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
CID 107659871
trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
CID 102735470
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]cyclopentan-1-ol
CID 60879313
2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60879504
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(2,4-dimethyl-6-nitrophenoxy)cyclopentan-1-ol
CID 102735489
2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
CID 113439792
2-(4-bromo-2-methyl-6-nitrophenoxy)cyclopentan-1-ol
CID 79843253

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol (CID 102735335) is trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol is Cc1ccc(C)c(O[C@H]2CCC[C@@H]2O)c1C.
What is the InChIKey of trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol?
The InChIKey is DPKSPJIXZQIEKK-STQMWFEESA-N. The full InChI is InChI=1S/C14H20O2/c1-9-7-8-10(2)14(11(9)3)16-13-6-4-5-12(13)15/h7-8,12-13,15H,4-6H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.90, 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-(2,3,6-trimethylphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).