1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol

C15H22O4 — CID 104753632

IUPAC1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
SMILESCCCOc1ccc(OCC(O)C2CCOC2)cc1
InChIInChI=1S/C15H22O4/c1-2-8-18-13-3-5-14(6-4-13)19-11-15(16)12-7-9-17-10-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyGYMQGYKMOFPXNG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.25
Rot. Bonds7

About 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol

1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol (PubChem CID 104753632) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
PubChem CID104753632
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
SMILESCCCOc1ccc(OCC(O)C2CCOC2)cc1
InChIInChI=1S/C15H22O4/c1-2-8-18-13-3-5-14(6-4-13)19-11-15(16)12-7-9-17-10-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyGYMQGYKMOFPXNG-UHFFFAOYSA-N
XLogP2.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
2-(1,3-benzodioxol-5-yloxy)-1-(oxolan-3-yl)ethanol
CID 113449294
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703
(4-butoxyphenyl)-(oxan-4-yl)methanol
CID 105097491
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237928
2-hexoxy-1-(oxolan-3-yl)ethanol
CID 104753611

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol (CID 104753632) is 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol is CCCOc1ccc(OCC(O)C2CCOC2)cc1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol?
The InChIKey is GYMQGYKMOFPXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-8-18-13-3-5-14(6-4-13)19-11-15(16)12-7-9-17-10-12/h3-6,12,15-16H,2,7-11H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol?
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol has a molecular weight of 266.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol is sourced from PubChem (CID 104753632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).