1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol

C13H18O4 — CID 102607343

IUPAC1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol
SMILESCCOc1ccc(C(O)COC2COC2)cc1
InChIInChI=1S/C13H18O4/c1-2-16-11-5-3-10(4-6-11)13(14)9-17-12-7-15-8-12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyPUYQNHMSELGWHR-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.53
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol

1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol (PubChem CID 102607343) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol
PubChem CID102607343
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol
SMILESCCOc1ccc(C(O)COC2COC2)cc1
InChIInChI=1S/C13H18O4/c1-2-16-11-5-3-10(4-6-11)13(14)9-17-12-7-15-8-12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyPUYQNHMSELGWHR-UHFFFAOYSA-N
XLogP1.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mephenesin
CID 4059
Methoxyhydroxyphenylglycol
CID 10805
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
4-Methoxybenzyl alcohol
CID 7738
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
Gastrodin
CID 115067
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
Homovanillyl alcohol
CID 16928
Dihydrogalangal acetate
CID 14638401
4-Methoxyphenethyl alcohol
CID 69705
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol (CID 102607343) is 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol is CCOc1ccc(C(O)COC2COC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol?
The InChIKey is PUYQNHMSELGWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-2-16-11-5-3-10(4-6-11)13(14)9-17-12-7-15-8-12/h3-6,12-14H,2,7-9H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol?
1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol has a molecular weight of 238.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(oxetan-3-yloxy)ethanol is sourced from PubChem (CID 102607343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).