2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride

C12H14Cl2O2 — CID 46779617

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride
SMILESCc1cc(OC(C)(C)C(=O)Cl)cc(C)c1Cl
InChIInChI=1S/C12H14Cl2O2/c1-7-5-9(6-8(2)10(7)13)16-12(3,4)11(14)15/h5-6H,1-4H3
InChIKeyPAESUTRXEQZHQR-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride

2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride (PubChem CID 46779617) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride
PubChem CID46779617
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride
SMILESCc1cc(OC(C)(C)C(=O)Cl)cc(C)c1Cl
InChIInChI=1S/C12H14Cl2O2/c1-7-5-9(6-8(2)10(7)13)16-12(3,4)11(14)15/h5-6H,1-4H3
InChIKeyPAESUTRXEQZHQR-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.88
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-(3,5-dimethylphenoxy)-2-methylpropanoyl chloride
CID 13156236
2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid
CID 43651972
2-methyl-2-(3,4,5-trichlorophenoxy)propanoic acid
CID 134123516
2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]propanamide
CID 99987343
methyl 3-(4-chloro-3,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 79623048
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide
CID 156608721
1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-one
CID 78949200
(4-chloro-3,5-dimethylphenyl) 2,2-dichloroacetate
CID 19170504
(4-chloro-3,5-dimethylphenyl) trifluoromethanesulfonate
CID 135085815
4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]benzoic acid
CID 175656993
2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
CID 82117779
(4-chloro-3,5-dimethylphenyl) N-chlorosulfonylcarbamate
CID 116799118

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride (CID 46779617) is 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride is Cc1cc(OC(C)(C)C(=O)Cl)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride?
The InChIKey is PAESUTRXEQZHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-7-5-9(6-8(2)10(7)13)16-12(3,4)11(14)15/h5-6H,1-4H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride?
2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride has a molecular weight of 261.15 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride is sourced from PubChem (CID 46779617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).