2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol

C15H22O3 — CID 155758449

IUPAC2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol
SMILESCC(C)(C)c1cc(COCC2CCO2)ccc1O
InChIInChI=1S/C15H22O3/c1-15(2,3)13-8-11(4-5-14(13)16)9-17-10-12-6-7-18-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyQOXPOPLJSYSUPM-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.00
Rot. Bonds4

About 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol

2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol (PubChem CID 155758449) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol
PubChem CID155758449
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol
SMILESCC(C)(C)c1cc(COCC2CCO2)ccc1O
InChIInChI=1S/C15H22O3/c1-15(2,3)13-8-11(4-5-14(13)16)9-17-10-12-6-7-18-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyQOXPOPLJSYSUPM-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol?
The IUPAC name of 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol (CID 155758449) is 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol?
The canonical SMILES for 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol is CC(C)(C)c1cc(COCC2CCO2)ccc1O.
What is the InChIKey of 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol?
The InChIKey is QOXPOPLJSYSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,3)13-8-11(4-5-14(13)16)9-17-10-12-6-7-18-12/h4-5,8,12,16H,6-7,9-10H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol?
2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol has a molecular weight of 250.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(oxetan-2-ylmethoxymethyl)phenol is sourced from PubChem (CID 155758449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).