2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride

C12H15ClO3 — CID 82117779

IUPAC2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
SMILESCOc1cc(C)ccc1OC(C)(C)C(=O)Cl
InChIInChI=1S/C12H15ClO3/c1-8-5-6-9(10(7-8)15-4)16-12(2,3)11(13)14/h5-7H,1-4H3
InChIKeyRODRKGSCYYRHQB-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride

2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride (PubChem CID 82117779) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
PubChem CID82117779
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
SMILESCOc1cc(C)ccc1OC(C)(C)C(=O)Cl
InChIInChI=1S/C12H15ClO3/c1-8-5-6-9(10(7-8)15-4)16-12(2,3)11(13)14/h5-7H,1-4H3
InChIKeyRODRKGSCYYRHQB-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
CID 114990557
2,2-difluoro-2-(2-methoxy-4-methylphenoxy)acetohydrazide
CID 55213796
2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79016754
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene
CID 90705178
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
2-methyl-2-(5-methyl-2-prop-1-en-2-ylphenoxy)propanoic acid
CID 71361745
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
2-(2-amino-5-methylphenoxy)-2-methylpropanoic acid
CID 125425539
2-(4-cyano-2-methoxyphenoxy)-2-methylpropanoic acid
CID 114992062
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride (CID 82117779) is 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride is COc1cc(C)ccc1OC(C)(C)C(=O)Cl.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride?
The InChIKey is RODRKGSCYYRHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-8-5-6-9(10(7-8)15-4)16-12(2,3)11(13)14/h5-7H,1-4H3.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride?
2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride has a molecular weight of 242.70 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride is sourced from PubChem (CID 82117779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).