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

C14H20O3 — CID 113449273

IUPAC2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCCc1ccc(OCC(O)C2CCOC2)cc1
InChIInChI=1S/C14H20O3/c1-2-11-3-5-13(6-4-11)17-10-14(15)12-7-8-16-9-12/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyCNQMQNXOXIZWHI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.03
Rot. Bonds5

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

2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol (PubChem CID 113449273) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
PubChem CID113449273
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCCc1ccc(OCC(O)C2CCOC2)cc1
InChIInChI=1S/C14H20O3/c1-2-11-3-5-13(6-4-11)17-10-14(15)12-7-8-16-9-12/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyCNQMQNXOXIZWHI-UHFFFAOYSA-N
XLogP2.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039219
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
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
1-cyclopropyl-2-(4-propylphenoxy)ethanol
CID 63908083
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol (CID 113449273) is 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol is CCc1ccc(OCC(O)C2CCOC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol?
The InChIKey is CNQMQNXOXIZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-11-3-5-13(6-4-11)17-10-14(15)12-7-8-16-9-12/h3-6,12,14-15H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol?
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 113449273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).