3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol

C13H20O3 — CID 79019164

IUPAC3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
SMILESCCOc1ccc(OCC(C)(C)CO)cc1
InChIInChI=1S/C13H20O3/c1-4-15-11-5-7-12(8-6-11)16-10-13(2,3)9-14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyCUNVKDXVADKJGW-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.48
Rot. Bonds6

About 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol

3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol (PubChem CID 79019164) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
PubChem CID79019164
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
SMILESCCOc1ccc(OCC(C)(C)CO)cc1
InChIInChI=1S/C13H20O3/c1-4-15-11-5-7-12(8-6-11)16-10-13(2,3)9-14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyCUNVKDXVADKJGW-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

3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
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3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019083
3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
CID 175336330
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572
1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
CID 61050322
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol (CID 79019164) is 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol is CCOc1ccc(OCC(C)(C)CO)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is CUNVKDXVADKJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-15-11-5-7-12(8-6-11)16-10-13(2,3)9-14/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol?
3-(4-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-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79019164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).