1-(2,2-dimethylpropoxy)-4-ethoxybenzene

C13H20O2 — CID 170603637

IUPAC1-(2,2-dimethylpropoxy)-4-ethoxybenzene
SMILESCCOc1ccc(OCC(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-5-14-11-6-8-12(9-7-11)15-10-13(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyJBXREZLQDSQBOD-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.51
Rot. Bonds4

About 1-(2,2-dimethylpropoxy)-4-ethoxybenzene

1-(2,2-dimethylpropoxy)-4-ethoxybenzene (PubChem CID 170603637) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-4-ethoxybenzene
PubChem CID170603637
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2,2-dimethylpropoxy)-4-ethoxybenzene
SMILESCCOc1ccc(OCC(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-5-14-11-6-8-12(9-7-11)15-10-13(2,3)4/h6-9H,5,10H2,1-4H3
InChIKeyJBXREZLQDSQBOD-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene
CID 170603030
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
1-(2,2-dimethylpropoxy)-4-[2-[4-(2,2-dimethylpropoxy)phenyl]propan-2-yl]benzene;[4-(2,2-dimethylpropoxy)phenyl]-(4-ethoxyphenyl)-methylidene-oxo-λ6-sulfane;2-methylpropane
CID 170603411
1-(2,2-dimethylpropoxy)-3-ethoxy-5-fluorobenzene;ethane;propane
CID 170603144
ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174706040
1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
CID 64998942
[4-(2,2-dimethylpropoxy)phenyl]-diphenylsulfanium
CID 160615561
(4-ethoxyphenyl)-oxosulfanium
CID 174263309
1-(5,5-dimethylhexyl)-4-(2,2-dimethylpropoxy)benzene
CID 167387215
4-(2,2-dimethylpropoxy)benzenecarboperoxoic acid
CID 87112604
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-4-ethoxybenzene?
The IUPAC name of 1-(2,2-dimethylpropoxy)-4-ethoxybenzene (CID 170603637) is 1-(2,2-dimethylpropoxy)-4-ethoxybenzene.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-4-ethoxybenzene?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-4-ethoxybenzene is CCOc1ccc(OCC(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-4-ethoxybenzene?
The InChIKey is JBXREZLQDSQBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-14-11-6-8-12(9-7-11)15-10-13(2,3)4/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-4-ethoxybenzene?
1-(2,2-dimethylpropoxy)-4-ethoxybenzene has a molecular weight of 208.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-4-ethoxybenzene is sourced from PubChem (CID 170603637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).