3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol

C15H22O4 — CID 106471139

IUPAC3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol
SMILESCCOc1ccccc1OCCC1COCCC1O
InChIInChI=1S/C15H22O4/c1-2-18-14-5-3-4-6-15(14)19-10-7-12-11-17-9-8-13(12)16/h3-6,12-13,16H,2,7-11H2,1H3
InChIKeyALBOQONJRSDLPD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.25
Rot. Bonds6

About 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol

3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol (PubChem CID 106471139) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol.

Molecular Properties

Compound Name3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol
PubChem CID106471139
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol
SMILESCCOc1ccccc1OCCC1COCCC1O
InChIInChI=1S/C15H22O4/c1-2-18-14-5-3-4-6-15(14)19-10-7-12-11-17-9-8-13(12)16/h3-6,12-13,16H,2,7-11H2,1H3
InChIKeyALBOQONJRSDLPD-UHFFFAOYSA-N
XLogP2.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-[2-(2-ethoxyphenoxy)ethyl]oxane
CID 106471587
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
3-[2-(3-bromophenoxy)ethyl]oxan-4-ol
CID 106471299
3-(4-phenylbutyl)oxan-4-ol
CID 106471164
3-[2-(trifluoromethoxy)ethyl]oxan-4-ol
CID 106471340
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
(3S)-N-[(1S,2R)-2-(2-ethoxyphenoxy)cyclopentyl]oxolan-3-amine
CID 129378923

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol?
The IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol (CID 106471139) is 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol.
What is the SMILES notation for 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol?
The canonical SMILES for 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol is CCOc1ccccc1OCCC1COCCC1O.
What is the InChIKey of 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol?
The InChIKey is ALBOQONJRSDLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-18-14-5-3-4-6-15(14)19-10-7-12-11-17-9-8-13(12)16/h3-6,12-13,16H,2,7-11H2,1H3.
What are the key properties of 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol?
3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol has a molecular weight of 266.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyphenoxy)ethyl]oxan-4-ol is sourced from PubChem (CID 106471139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).