3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol

C12H18O2 — CID 82075966

IUPAC3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
SMILESCc1ccc(C)c(OCC(C)CO)c1
InChIInChI=1S/C12H18O2/c1-9-4-5-11(3)12(6-9)14-8-10(2)7-13/h4-6,10,13H,7-8H2,1-3H3
InChIKeyRUTIITVSGKLDAG-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.31
Rot. Bonds4

About 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol

3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol (PubChem CID 82075966) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
PubChem CID82075966
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
SMILESCc1ccc(C)c(OCC(C)CO)c1
InChIInChI=1S/C12H18O2/c1-9-4-5-11(3)12(6-9)14-8-10(2)7-13/h4-6,10,13H,7-8H2,1-3H3
InChIKeyRUTIITVSGKLDAG-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803102
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
3-(2,5-dimethylphenoxy)-2-methylpropanoic acid
CID 43537634
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
CID 79023730
3-(2,5-dimethylphenoxy)-2-methylpropanenitrile
CID 43174872
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
CID 64804340
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
2-methyl-3-(4-methyl-2-nitrophenoxy)propan-1-ol
CID 115870896
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031567

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol (CID 82075966) is 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol is Cc1ccc(C)c(OCC(C)CO)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol?
The InChIKey is RUTIITVSGKLDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-4-5-11(3)12(6-9)14-8-10(2)7-13/h4-6,10,13H,7-8H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol?
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 82075966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).