4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol

C14H22O3 — CID 66024501

IUPAC4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
SMILESCCOc1ccccc1OCCC(C)(C)CO
InChIInChI=1S/C14H22O3/c1-4-16-12-7-5-6-8-13(12)17-10-9-14(2,3)11-15/h5-8,15H,4,9-11H2,1-3H3
InChIKeyFJKJRWAQDVSMHS-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.87
Rot. Bonds7

About 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol

4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol (PubChem CID 66024501) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
PubChem CID66024501
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
SMILESCCOc1ccccc1OCCC(C)(C)CO
InChIInChI=1S/C14H22O3/c1-4-16-12-7-5-6-8-13(12)17-10-9-14(2,3)11-15/h5-8,15H,4,9-11H2,1-3H3
InChIKeyFJKJRWAQDVSMHS-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019083
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol
CID 106506403
methyl 2-(aminomethyl)-4-(2-ethoxyphenoxy)-2-methylbutanoate
CID 106487877
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
1-[3-(bromomethyl)-3-methylpent-4-enoxy]-2-ethoxybenzene
CID 102642202
5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864883
1-(3-bromo-2,2-dimethylpropoxy)-2-ethoxybenzene
CID 64995079
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol?
The IUPAC name of 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol (CID 66024501) is 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol?
The canonical SMILES for 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol is CCOc1ccccc1OCCC(C)(C)CO.
What is the InChIKey of 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol?
The InChIKey is FJKJRWAQDVSMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-16-12-7-5-6-8-13(12)17-10-9-14(2,3)11-15/h5-8,15H,4,9-11H2,1-3H3.
What are the key properties of 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol?
4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 66024501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).