2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol

C14H20O3 — CID 104753451

IUPAC2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCc1ccc(OCC(O)C2CCOC2)c(C)c1
InChIInChI=1S/C14H20O3/c1-10-3-4-14(11(2)7-10)17-9-13(15)12-5-6-16-8-12/h3-4,7,12-13,15H,5-6,8-9H2,1-2H3
InChIKeyUSCBCDITKVSXAC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.08
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol

2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol (PubChem CID 104753451) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
PubChem CID104753451
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCc1ccc(OCC(O)C2CCOC2)c(C)c1
InChIInChI=1S/C14H20O3/c1-10-3-4-14(11(2)7-10)17-9-13(15)12-5-6-16-8-12/h3-4,7,12-13,15H,5-6,8-9H2,1-2H3
InChIKeyUSCBCDITKVSXAC-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 113449299
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 110891658
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104749553

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol (CID 104753451) is 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol is Cc1ccc(OCC(O)C2CCOC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol?
The InChIKey is USCBCDITKVSXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-3-4-14(11(2)7-10)17-9-13(15)12-5-6-16-8-12/h3-4,7,12-13,15H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol?
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104753451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).