2-[4-(2-oxopropyl)phenyl]acetyl chloride

C11H11ClO2 — CID 145140807

IUPAC2-[4-(2-oxopropyl)phenyl]acetyl chloride
SMILESCC(=O)Cc1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-8(13)6-9-2-4-10(5-3-9)7-11(12)14/h2-5H,6-7H2,1H3
InChIKeyLTVGXAALUOQYGE-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.13
Rot. Bonds4

About 2-[4-(2-oxopropyl)phenyl]acetyl chloride

2-[4-(2-oxopropyl)phenyl]acetyl chloride (PubChem CID 145140807) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-[4-(2-oxopropyl)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[4-(2-oxopropyl)phenyl]acetyl chloride
PubChem CID145140807
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-[4-(2-oxopropyl)phenyl]acetyl chloride
SMILESCC(=O)Cc1ccc(CC(=O)Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-8(13)6-9-2-4-10(5-3-9)7-11(12)14/h2-5H,6-7H2,1H3
InChIKeyLTVGXAALUOQYGE-UHFFFAOYSA-N
XLogP2.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.13
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-(4-acetylphenyl)acetyl chloride
CID 19746515
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-(4-aminophenyl)acetyl chloride;ethane
CID 143474750
[4-(2-oxopropyl)phenyl] carbonochloridate
CID 115496228
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
2-(4-iodophenyl)acetyl chloride
CID 13340573
4-(2-chloro-2-oxoethyl)benzoyl chloride
CID 101055805
benzene;1-phenylpropan-2-one
CID 21430852
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
1-(4-propylphenyl)propan-2-one
CID 82490574

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxopropyl)phenyl]acetyl chloride?
The IUPAC name of 2-[4-(2-oxopropyl)phenyl]acetyl chloride (CID 145140807) is 2-[4-(2-oxopropyl)phenyl]acetyl chloride.
What is the SMILES notation for 2-[4-(2-oxopropyl)phenyl]acetyl chloride?
The canonical SMILES for 2-[4-(2-oxopropyl)phenyl]acetyl chloride is CC(=O)Cc1ccc(CC(=O)Cl)cc1.
What is the InChIKey of 2-[4-(2-oxopropyl)phenyl]acetyl chloride?
The InChIKey is LTVGXAALUOQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-8(13)6-9-2-4-10(5-3-9)7-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 2-[4-(2-oxopropyl)phenyl]acetyl chloride?
2-[4-(2-oxopropyl)phenyl]acetyl chloride has a molecular weight of 210.66 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxopropyl)phenyl]acetyl chloride is sourced from PubChem (CID 145140807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).