2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone

C11H11Cl3O2 — CID 146008297

IUPAC2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H11Cl3O2/c1-7(2)16-9-6-4-3-5-8(9)10(15)11(12,13)14/h3-7H,1-2H3
InChIKeyXFZFAAUYRJZWQX-UHFFFAOYSA-N
MW281.57 g/mol
LogP4.03
Rot. Bonds3

About 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone

2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone (PubChem CID 146008297) has the molecular formula C11H11Cl3O2 and a molecular weight of 281.57 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
PubChem CID146008297
Molecular FormulaC11H11Cl3O2
Molecular Weight281.57 g/mol
Exact Mass279.98
IUPAC Name2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H11Cl3O2/c1-7(2)16-9-6-4-3-5-8(9)10(15)11(12,13)14/h3-7H,1-2H3
InChIKeyXFZFAAUYRJZWQX-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxybenzoyl chloride
CID 15921914
2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
CID 103446686
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-amino-2-methyl-1-(2-propan-2-yloxyphenyl)pentan-1-one
CID 116556941
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128
1-(2-bromophenyl)-2,2,2-trichloroethanone
CID 102572456
phenyl hydrogen carbonate;2-propan-2-yloxybenzoic acid
CID 66628962
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
2-imino-1-(2-propan-2-yloxyphenyl)ethanone
CID 91538765

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone (CID 146008297) is 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone is CC(C)Oc1ccccc1C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone?
The InChIKey is XFZFAAUYRJZWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O2/c1-7(2)16-9-6-4-3-5-8(9)10(15)11(12,13)14/h3-7H,1-2H3.
What are the key properties of 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone?
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone has a molecular weight of 281.57 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 146008297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).