trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol

C13H18O2 — CID 102735392

IUPACtrans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
SMILESCc1ccc(C)c(O[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C13H18O2/c1-9-6-7-10(2)13(8-9)15-12-5-3-4-11(12)14/h6-8,11-12,14H,3-5H2,1-2H3/t11-,12-/m1/s1
InChIKeyCBOXDECVBLMBAY-VXGBXAGGSA-N
MW206.29 g/mol
LogP2.60
Rot. Bonds2

About trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol

trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol (PubChem CID 102735392) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
PubChem CID102735392
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Nametrans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
SMILESCc1ccc(C)c(O[C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C13H18O2/c1-9-6-7-10(2)13(8-9)15-12-5-3-4-11(12)14/h6-8,11-12,14H,3-5H2,1-2H3/t11-,12-/m1/s1
InChIKeyCBOXDECVBLMBAY-VXGBXAGGSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
CID 107659871
2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid
CID 61379750
2-(2,5-dimethylphenoxy)cyclohexan-1-amine
CID 43184593
5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol
CID 79857169
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 78947415
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
CID 97327792
trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
CID 102735335
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]cyclopentan-1-ol
CID 63324546
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014286

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol (CID 102735392) is trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol is Cc1ccc(C)c(O[C@@H]2CCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol?
The InChIKey is CBOXDECVBLMBAY-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-6-7-10(2)13(8-9)15-12-5-3-4-11(12)14/h6-8,11-12,14H,3-5H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol?
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol is sourced from PubChem (CID 102735392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).