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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Related Compounds

Butylated hydroxymethylphenol
CID 6929
2,6-Di-tert-butyl-4-(methoxymethyl)phenol
CID 6911
Di-(3,5-di-tert-butyl-4-hydroxybenzyl)ether
CID 81340
4-[5-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 3110826
4-(5-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenol
CID 6542593
4-((2-Isopropoxyethoxy)methyl)phenol
CID 10219954
4-(Butoxymethyl)phenol
CID 14251857
4-((1S,2S,5S)-5-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo(3.3.1)non-7-EN-2-YL)phenol
CID 6857699
12-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione
CID 386885
(1R,4R,5R)-4-(4-Hydroxy-phenyl)-6,8,8-trimethyl-3-oxa-bicyclo[3.3.1]non-6-en-1-ol
CID 44389476
(1S,4R,5S)-4-(4-Hydroxy-phenyl)-6,9,9-trimethyl-3-oxa-bicyclo[3.3.1]non-6-en-1-ol
CID 44389493
2-Methyl-4-((1R,2R,5R)-4,4,8-trimethyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol
CID 44389572

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).