2-(4-propan-2-ylphenyl)propanoyl chloride

C12H15ClO — CID 14553074

IUPAC2-(4-propan-2-ylphenyl)propanoyl chloride
SMILESCC(C)c1ccc(C(C)C(=O)Cl)cc1
InChIInChI=1S/C12H15ClO/c1-8(2)10-4-6-11(7-5-10)9(3)12(13)14/h4-9H,1-3H3
InChIKeyYKFJJTDTZORALX-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-propan-2-ylphenyl)propanoyl chloride

2-(4-propan-2-ylphenyl)propanoyl chloride (PubChem CID 14553074) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)propanoyl chloride.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)propanoyl chloride
PubChem CID14553074
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name2-(4-propan-2-ylphenyl)propanoyl chloride
SMILESCC(C)c1ccc(C(C)C(=O)Cl)cc1
InChIInChI=1S/C12H15ClO/c1-8(2)10-4-6-11(7-5-10)9(3)12(13)14/h4-9H,1-3H3
InChIKeyYKFJJTDTZORALX-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.68
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-methylphenyl)propanoyl chloride
CID 14946079
[4-(1-chloro-1-oxopropan-2-yl)phenyl] acetate
CID 175136298
2-[4-(2-bromoethyl)phenyl]propanoyl chloride
CID 175259133
(2S,3R)-4,4,4-trifluoro-3-methyl-2-(4-propan-2-ylphenyl)butanoyl chloride
CID 58288347
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)propanoyl chloride?
The IUPAC name of 2-(4-propan-2-ylphenyl)propanoyl chloride (CID 14553074) is 2-(4-propan-2-ylphenyl)propanoyl chloride.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)propanoyl chloride?
The canonical SMILES for 2-(4-propan-2-ylphenyl)propanoyl chloride is CC(C)c1ccc(C(C)C(=O)Cl)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)propanoyl chloride?
The InChIKey is YKFJJTDTZORALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-8(2)10-4-6-11(7-5-10)9(3)12(13)14/h4-9H,1-3H3.
What are the key properties of 2-(4-propan-2-ylphenyl)propanoyl chloride?
2-(4-propan-2-ylphenyl)propanoyl chloride has a molecular weight of 210.70 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)propanoyl chloride is sourced from PubChem (CID 14553074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).