(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

C15H20O3 — CID 116922539

IUPAC(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)C2(CO)COC2)cc1
InChIInChI=1S/C15H20O3/c1-14(2,3)12-6-4-11(5-7-12)13(17)15(8-16)9-18-10-15/h4-7,16H,8-10H2,1-3H3
InChIKeyORKRZDZZGLTKOF-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.18
Rot. Bonds3

About (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (PubChem CID 116922539) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
PubChem CID116922539
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)C2(CO)COC2)cc1
InChIInChI=1S/C15H20O3/c1-14(2,3)12-6-4-11(5-7-12)13(17)15(8-16)9-18-10-15/h4-7,16H,8-10H2,1-3H3
InChIKeyORKRZDZZGLTKOF-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116996913
[3-(hydroxymethyl)oxetan-3-yl]-(4-propylphenyl)methanone
CID 116922560
(3,4-dimethylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922540
(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922574
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
1-(4-tert-butylbenzoyl)cyclobutane-1-carboxylic acid
CID 116921808
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
CID 67550053
CID 67550053
3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
CID 115185485
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
(5-bromothiophen-2-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922567

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (CID 116922539) is (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is CC(C)(C)c1ccc(C(=O)C2(CO)COC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The InChIKey is ORKRZDZZGLTKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,3)12-6-4-11(5-7-12)13(17)15(8-16)9-18-10-15/h4-7,16H,8-10H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone has a molecular weight of 248.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is sourced from PubChem (CID 116922539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).