ethane;2-ethyl-6-(oxetan-3-yl)phenol

C13H20O2 — CID 145443484

IUPACethane;2-ethyl-6-(oxetan-3-yl)phenol
SMILESCC.CCc1cccc(C2COC2)c1O
InChIInChI=1S/C11H14O2.C2H6/c1-2-8-4-3-5-10(11(8)12)9-6-13-7-9;1-2/h3-5,9,12H,2,6-7H2,1H3;1-2H3
InChIKeyXIJBZVOUZLGFDY-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.09
Rot. Bonds2

About ethane;2-ethyl-6-(oxetan-3-yl)phenol

ethane;2-ethyl-6-(oxetan-3-yl)phenol (PubChem CID 145443484) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;2-ethyl-6-(oxetan-3-yl)phenol.

Molecular Properties

Compound Nameethane;2-ethyl-6-(oxetan-3-yl)phenol
PubChem CID145443484
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethane;2-ethyl-6-(oxetan-3-yl)phenol
SMILESCC.CCc1cccc(C2COC2)c1O
InChIInChI=1S/C11H14O2.C2H6/c1-2-8-4-3-5-10(11(8)12)9-6-13-7-9;1-2/h3-5,9,12H,2,6-7H2,1H3;1-2H3
InChIKeyXIJBZVOUZLGFDY-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6-(oxetan-3-yl)phenol?
The IUPAC name of ethane;2-ethyl-6-(oxetan-3-yl)phenol (CID 145443484) is ethane;2-ethyl-6-(oxetan-3-yl)phenol.
What is the SMILES notation for ethane;2-ethyl-6-(oxetan-3-yl)phenol?
The canonical SMILES for ethane;2-ethyl-6-(oxetan-3-yl)phenol is CC.CCc1cccc(C2COC2)c1O.
What is the InChIKey of ethane;2-ethyl-6-(oxetan-3-yl)phenol?
The InChIKey is XIJBZVOUZLGFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C2H6/c1-2-8-4-3-5-10(11(8)12)9-6-13-7-9;1-2/h3-5,9,12H,2,6-7H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-6-(oxetan-3-yl)phenol?
ethane;2-ethyl-6-(oxetan-3-yl)phenol has a molecular weight of 208.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6-(oxetan-3-yl)phenol is sourced from PubChem (CID 145443484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).