1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol

C12H18O2 — CID 60878783

IUPAC1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
SMILESCc1ccc(OCC(C)(C)O)cc1C
InChIInChI=1S/C12H18O2/c1-9-5-6-11(7-10(9)2)14-8-12(3,4)13/h5-7,13H,8H2,1-4H3
InChIKeyYKJCNNAOUGMVBF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.45
Rot. Bonds3

About 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol

1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol (PubChem CID 60878783) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
PubChem CID60878783
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
SMILESCc1ccc(OCC(C)(C)O)cc1C
InChIInChI=1S/C12H18O2/c1-9-5-6-11(7-10(9)2)14-8-12(3,4)13/h5-7,13H,8H2,1-4H3
InChIKeyYKJCNNAOUGMVBF-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine
CID 82126575
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
1-(4-bromophenoxy)-2-methylpropan-2-ol
CID 21186342
2-methyl-1-[(6-methyl-3-pyridinyl)oxy]propan-2-ol
CID 129451823
1-[5-(2-hydroxy-2-methylpropoxy)-2-methoxyphenyl]ethanone
CID 110017847
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
CID 60884005
1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol
CID 60878602
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-[3-(3,4-dimethylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354090
3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol (CID 60878783) is 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol is Cc1ccc(OCC(C)(C)O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol?
The InChIKey is YKJCNNAOUGMVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-5-6-11(7-10(9)2)14-8-12(3,4)13/h5-7,13H,8H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol?
1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 60878783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).