3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol

C13H20O3 — CID 79019083

IUPAC3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
SMILESCCOc1ccccc1OCC(C)(C)CO
InChIInChI=1S/C13H20O3/c1-4-15-11-7-5-6-8-12(11)16-10-13(2,3)9-14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyXXUYWBOXYZARQX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.48
Rot. Bonds6

About 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol

3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol (PubChem CID 79019083) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
PubChem CID79019083
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
SMILESCCOc1ccccc1OCC(C)(C)CO
InChIInChI=1S/C13H20O3/c1-4-15-11-7-5-6-8-12(11)16-10-13(2,3)9-14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyXXUYWBOXYZARQX-UHFFFAOYSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66024501
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3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
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1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
3-[(4-amino-3-pyridinyl)oxy]-2,2-dimethylpropan-1-ol
CID 81218518
2-(2-ethoxyphenoxy)propane-1,3-diol
CID 3030872
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
2-(2-ethoxyphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82726093
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene
CID 170602979
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
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CID 61056385

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol (CID 79019083) is 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol is CCOc1ccccc1OCC(C)(C)CO.
What is the InChIKey of 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is XXUYWBOXYZARQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-15-11-7-5-6-8-12(11)16-10-13(2,3)9-14/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol?
3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79019083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).