2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol

C14H20O3 — CID 104753445

IUPAC2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCc1cccc(C)c1OCC(O)C1CCOC1
InChIInChI=1S/C14H20O3/c1-10-4-3-5-11(2)14(10)17-9-13(15)12-6-7-16-8-12/h3-5,12-13,15H,6-9H2,1-2H3
InChIKeyPNIAHRZPVCJKKG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.08
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol

2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol (PubChem CID 104753445) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
PubChem CID104753445
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
SMILESCc1cccc(C)c1OCC(O)C1CCOC1
InChIInChI=1S/C14H20O3/c1-10-4-3-5-11(2)14(10)17-9-13(15)12-6-7-16-8-12/h3-5,12-13,15H,6-9H2,1-2H3
InChIKeyPNIAHRZPVCJKKG-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

1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 113449299
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine
CID 99849083
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
2-(2-methylphenyl)-1-(oxan-3-yl)ethanol
CID 63013338
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol (CID 104753445) is 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol is Cc1cccc(C)c1OCC(O)C1CCOC1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol?
The InChIKey is PNIAHRZPVCJKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-4-3-5-11(2)14(10)17-9-13(15)12-6-7-16-8-12/h3-5,12-13,15H,6-9H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol?
2-(2,6-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-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104753445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).