2-(4-tert-butylphenoxy)acetyl chloride

C12H15ClO2 — CID 611195

IUPAC2-(4-tert-butylphenoxy)acetyl chloride
SMILESCC(C)(C)c1ccc(OCC(=O)Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3
InChIKeyCFTNMBDQWVPSHI-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.13
Rot. Bonds3

About 2-(4-tert-butylphenoxy)acetyl chloride

2-(4-tert-butylphenoxy)acetyl chloride (PubChem CID 611195) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)acetyl chloride.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)acetyl chloride
PubChem CID611195
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(4-tert-butylphenoxy)acetyl chloride
SMILESCC(C)(C)c1ccc(OCC(=O)Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3
InChIKeyCFTNMBDQWVPSHI-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride
CID 142905158
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
CID 78767794
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 9328058
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)acetyl chloride?
The IUPAC name of 2-(4-tert-butylphenoxy)acetyl chloride (CID 611195) is 2-(4-tert-butylphenoxy)acetyl chloride.
What is the SMILES notation for 2-(4-tert-butylphenoxy)acetyl chloride?
The canonical SMILES for 2-(4-tert-butylphenoxy)acetyl chloride is CC(C)(C)c1ccc(OCC(=O)Cl)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)acetyl chloride?
The InChIKey is CFTNMBDQWVPSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)acetyl chloride?
2-(4-tert-butylphenoxy)acetyl chloride has a molecular weight of 226.70 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)acetyl chloride is sourced from PubChem (CID 611195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).