2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride

C12H15ClO2 — CID 13156236

IUPAC2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride
SMILESCc1cc(C)cc(OC(C)(C)C(=O)Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8-5-9(2)7-10(6-8)15-12(3,4)11(13)14/h5-7H,1-4H3
InChIKeyKTZYBQFUJLPFMF-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.23
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride

2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride (PubChem CID 13156236) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride
PubChem CID13156236
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride
SMILESCc1cc(C)cc(OC(C)(C)C(=O)Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8-5-9(2)7-10(6-8)15-12(3,4)11(13)14/h5-7H,1-4H3
InChIKeyKTZYBQFUJLPFMF-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride
CID 46779617
2-(3,5-dimethylphenoxy)propan-2-ol
CID 19100289
(3,5-dimethylphenyl) carbonochloridate
CID 22026189
2-[[2-(3,5-dimethylphenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 82043605
2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
CID 82117779
2-methyl-2-(3,4,5-trichlorophenoxy)propanoic acid
CID 134123516
N,2-dimethyl-2-(3-methylphenoxy)propanamide
CID 58376836
2-(3,5-dimethylphenyl)sulfanyl-2-methylpropanoyl chloride
CID 82041694
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride
CID 152591826
2-[4-[2-(3,5-dimethylanilino)ethyl]phenoxy]-2-methylpropanoic acid
CID 67811284
1-[4-(3,5-dimethylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutoxy]-3,5-dimethylbenzene
CID 139606457

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride?
The IUPAC name of 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride (CID 13156236) is 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride is Cc1cc(C)cc(OC(C)(C)C(=O)Cl)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride?
The InChIKey is KTZYBQFUJLPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8-5-9(2)7-10(6-8)15-12(3,4)11(13)14/h5-7H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride?
2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride has a molecular weight of 226.70 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride is sourced from PubChem (CID 13156236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).