2-(4-methylphenyl)propanoyl chloride

C10H11ClO — CID 14946079

IUPAC2-(4-methylphenyl)propanoyl chloride
SMILESCc1ccc(C(C)C(=O)Cl)cc1
InChIInChI=1S/C10H11ClO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3
InChIKeyCBLJJIJBOWHEHH-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.86
Rot. Bonds2

About 2-(4-methylphenyl)propanoyl chloride

2-(4-methylphenyl)propanoyl chloride (PubChem CID 14946079) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(4-methylphenyl)propanoyl chloride.

Molecular Properties

Compound Name2-(4-methylphenyl)propanoyl chloride
PubChem CID14946079
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name2-(4-methylphenyl)propanoyl chloride
SMILESCc1ccc(C(C)C(=O)Cl)cc1
InChIInChI=1S/C10H11ClO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3
InChIKeyCBLJJIJBOWHEHH-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylphenyl)propanoyl chloride
CID 14553074
3-methyl-2-(4-methylphenyl)butanoyl chloride
CID 14359807
sulfino 2-(4-methylphenyl)propanoate
CID 91617236
[4-(1-chloro-1-oxopropan-2-yl)phenyl] acetate
CID 175136298
2-[4-(2-bromoethyl)phenyl]propanoyl chloride
CID 175259133
2-(4-methylphenyl)propanoyl sulfite
CID 91617235
acetyl 2-(4-methylphenyl)propanoate
CID 174752977
N-methyl-2-(4-methylphenyl)propanehydrazide
CID 116845714
2-(4-methylphenyl)hexan-3-one
CID 83047098
2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride
CID 18426294
2-methylpropanoyl chloride;toluene
CID 174958428
1-[(E)-2,3-dichloro-1,4,4-tris(4-methylphenyl)but-2-enyl]-4-methylbenzene
CID 134884797

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)propanoyl chloride?
The IUPAC name of 2-(4-methylphenyl)propanoyl chloride (CID 14946079) is 2-(4-methylphenyl)propanoyl chloride.
What is the SMILES notation for 2-(4-methylphenyl)propanoyl chloride?
The canonical SMILES for 2-(4-methylphenyl)propanoyl chloride is Cc1ccc(C(C)C(=O)Cl)cc1.
What is the InChIKey of 2-(4-methylphenyl)propanoyl chloride?
The InChIKey is CBLJJIJBOWHEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3.
What are the key properties of 2-(4-methylphenyl)propanoyl chloride?
2-(4-methylphenyl)propanoyl chloride has a molecular weight of 182.65 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)propanoyl chloride is sourced from PubChem (CID 14946079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).