4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol

C14H20O2 — CID 171581939

IUPAC4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol
SMILESCc1c(C(C)(C)C)ccc(O)c1C1COC1
InChIInChI=1S/C14H20O2/c1-9-11(14(2,3)4)5-6-12(15)13(9)10-7-16-8-10/h5-6,10,15H,7-8H2,1-4H3
InChIKeyVVEOLIVULVBJSZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.11
Rot. Bonds1

About 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol

4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol (PubChem CID 171581939) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol
PubChem CID171581939
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol
SMILESCc1c(C(C)(C)C)ccc(O)c1C1COC1
InChIInChI=1S/C14H20O2/c1-9-11(14(2,3)4)5-6-12(15)13(9)10-7-16-8-10/h5-6,10,15H,7-8H2,1-4H3
InChIKeyVVEOLIVULVBJSZ-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol?
The IUPAC name of 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol (CID 171581939) is 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol.
What is the SMILES notation for 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol?
The canonical SMILES for 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol is Cc1c(C(C)(C)C)ccc(O)c1C1COC1.
What is the InChIKey of 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol?
The InChIKey is VVEOLIVULVBJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-11(14(2,3)4)5-6-12(15)13(9)10-7-16-8-10/h5-6,10,15H,7-8H2,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol?
4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol has a molecular weight of 220.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-2-(oxetan-3-yl)phenol is sourced from PubChem (CID 171581939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).