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

C14H20O2 — CID 102732512

IUPACtrans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
SMILESCc1ccc(C)c(O[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H20O2/c1-10-7-8-11(2)14(9-10)16-13-6-4-3-5-12(13)15/h7-9,12-13,15H,3-6H2,1-2H3/t12-,13-/m1/s1
InChIKeyFPAOMHLPPFLMIE-CHWSQXEVSA-N
MW220.31 g/mol
LogP2.99
Rot. Bonds2

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

trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol (PubChem CID 102732512) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
PubChem CID102732512
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nametrans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
SMILESCc1ccc(C)c(O[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C14H20O2/c1-10-7-8-11(2)14(9-10)16-13-6-4-3-5-12(13)15/h7-9,12-13,15H,3-6H2,1-2H3/t12-,13-/m1/s1
InChIKeyFPAOMHLPPFLMIE-CHWSQXEVSA-N
XLogP2.99
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 ≤ 52.99
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
2-(2,5-dimethylphenoxy)cyclohexan-1-amine
CID 43184593
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 78947415
5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol
CID 79857169
3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
CID 107659871
2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid
CID 61379750
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
CID 97327792
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(2,5-dimethylphenoxy)oxane
CID 15305690

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol (CID 102732512) is trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol is Cc1ccc(C)c(O[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol?
The InChIKey is FPAOMHLPPFLMIE-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-7-8-11(2)14(9-10)16-13-6-4-3-5-12(13)15/h7-9,12-13,15H,3-6H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol?
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.99, 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)cyclohexan-1-ol is sourced from PubChem (CID 102732512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).