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

C12H18O4 — CID 60878602

IUPAC1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol
SMILESCOc1cc(OC)cc(OCC(C)(C)O)c1
InChIInChI=1S/C12H18O4/c1-12(2,13)8-16-11-6-9(14-3)5-10(7-11)15-4/h5-7,13H,8H2,1-4H3
InChIKeyPELZESILUDXYLP-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.85
Rot. Bonds5

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

1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol (PubChem CID 60878602) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol
PubChem CID60878602
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol
SMILESCOc1cc(OC)cc(OCC(C)(C)O)c1
InChIInChI=1S/C12H18O4/c1-12(2,13)8-16-11-6-9(14-3)5-10(7-11)15-4/h5-7,13H,8H2,1-4H3
InChIKeyPELZESILUDXYLP-UHFFFAOYSA-N
XLogP1.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxy-3-methylbutoxy)-5-methoxyphenol
CID 59527538
3-(3,5-dimethoxyphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64811025
1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
CID 60878783
1-(4-bromophenoxy)-2-methylpropan-2-ol
CID 21186342
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
1-[5-(2-hydroxy-2-methylpropoxy)-2-methoxyphenyl]ethanone
CID 110017847
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
CID 60884005
3-(3-bromo-2,2-dimethylpropoxy)-5-methoxybenzonitrile
CID 103566652
phosphane;1,3,5-trimethoxybenzene
CID 175232895

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol (CID 60878602) is 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol is COc1cc(OC)cc(OCC(C)(C)O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol?
The InChIKey is PELZESILUDXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-12(2,13)8-16-11-6-9(14-3)5-10(7-11)15-4/h5-7,13H,8H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol?
1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol has a molecular weight of 226.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 60878602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).