2-(2-methyl-5-propylphenyl)acetyl chloride

C12H15ClO — CID 59115312

IUPAC2-(2-methyl-5-propylphenyl)acetyl chloride
SMILESCCCc1ccc(C)c(CC(=O)Cl)c1
InChIInChI=1S/C12H15ClO/c1-3-4-10-6-5-9(2)11(7-10)8-12(13)14/h5-7H,3-4,8H2,1-2H3
InChIKeyMUNLHQVHPVKDJE-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-methyl-5-propylphenyl)acetyl chloride

2-(2-methyl-5-propylphenyl)acetyl chloride (PubChem CID 59115312) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 2-(2-methyl-5-propylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(2-methyl-5-propylphenyl)acetyl chloride
PubChem CID59115312
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name2-(2-methyl-5-propylphenyl)acetyl chloride
SMILESCCCc1ccc(C)c(CC(=O)Cl)c1
InChIInChI=1S/C12H15ClO/c1-3-4-10-6-5-9(2)11(7-10)8-12(13)14/h5-7H,3-4,8H2,1-2H3
InChIKeyMUNLHQVHPVKDJE-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.26
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-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
1,2-diethyl-4-propylbenzene
CID 54363919
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2-methyl-5-propylbenzenesulfonic acid
CID 13258131
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
2-ethyl-5-propylphenol
CID 522454
2,5-dipropylbenzoic acid
CID 139904729
1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propylphenyl)acetyl chloride?
The IUPAC name of 2-(2-methyl-5-propylphenyl)acetyl chloride (CID 59115312) is 2-(2-methyl-5-propylphenyl)acetyl chloride.
What is the SMILES notation for 2-(2-methyl-5-propylphenyl)acetyl chloride?
The canonical SMILES for 2-(2-methyl-5-propylphenyl)acetyl chloride is CCCc1ccc(C)c(CC(=O)Cl)c1.
What is the InChIKey of 2-(2-methyl-5-propylphenyl)acetyl chloride?
The InChIKey is MUNLHQVHPVKDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-3-4-10-6-5-9(2)11(7-10)8-12(13)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-methyl-5-propylphenyl)acetyl chloride?
2-(2-methyl-5-propylphenyl)acetyl chloride has a molecular weight of 210.70 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propylphenyl)acetyl chloride is sourced from PubChem (CID 59115312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).