1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol

C13H18O2 — CID 63907048

IUPAC1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
SMILESCc1ccc(C)c(OCC(O)C2CC2)c1
InChIInChI=1S/C13H18O2/c1-9-3-4-10(2)13(7-9)15-8-12(14)11-5-6-11/h3-4,7,11-12,14H,5-6,8H2,1-2H3
InChIKeyUCGWZOIIHBITCE-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.45
Rot. Bonds4

About 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol

1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol (PubChem CID 63907048) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
PubChem CID63907048
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
SMILESCc1ccc(C)c(OCC(O)C2CC2)c1
InChIInChI=1S/C13H18O2/c1-9-3-4-10(2)13(7-9)15-8-12(14)11-5-6-11/h3-4,7,11-12,14H,5-6,8H2,1-2H3
InChIKeyUCGWZOIIHBITCE-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
1-cyclohexyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 104753531
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
(2R)-1-(2,5-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 11881754
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol?
The IUPAC name of 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol (CID 63907048) is 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol is Cc1ccc(C)c(OCC(O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol?
The InChIKey is UCGWZOIIHBITCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-3-4-10(2)13(7-9)15-8-12(14)11-5-6-11/h3-4,7,11-12,14H,5-6,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol?
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol has a molecular weight of 206.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol is sourced from PubChem (CID 63907048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).