trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol

C12H15ClO2 — CID 102735536

IUPACtrans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
SMILESCc1ccc(Cl)cc1O[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H15ClO2/c1-8-5-6-9(13)7-12(8)15-11-4-2-3-10(11)14/h5-7,10-11,14H,2-4H2,1H3/t10-,11-/m0/s1
InChIKeyXRHGHZDJFGQFSP-QWRGUYRKSA-N
MW226.70 g/mol
LogP2.94
Rot. Bonds2

About trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol

trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol (PubChem CID 102735536) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
PubChem CID102735536
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Nametrans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
SMILESCc1ccc(Cl)cc1O[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H15ClO2/c1-8-5-6-9(13)7-12(8)15-11-4-2-3-10(11)14/h5-7,10-11,14H,2-4H2,1H3/t10-,11-/m0/s1
InChIKeyXRHGHZDJFGQFSP-QWRGUYRKSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
CID 102735425
3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
CID 107659871
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile
CID 113277308
6-(5-chloro-2-methylphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836604
4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 113277283
trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
CID 102735335
6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79836411
3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
CID 79618917

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol (CID 102735536) is trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol is Cc1ccc(Cl)cc1O[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol?
The InChIKey is XRHGHZDJFGQFSP-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8-5-6-9(13)7-12(8)15-11-4-2-3-10(11)14/h5-7,10-11,14H,2-4H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol has a molecular weight of 226.70 g/mol, XLogP of 2.94, 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-(5-chloro-2-methylphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).