2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone

C10H9Cl3O — CID 130966551

IUPAC2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)C(Cl)Cl)cc(C)c1Cl
InChIInChI=1S/C10H9Cl3O/c1-5-3-7(9(14)10(12)13)4-6(2)8(5)11/h3-4,10H,1-2H3
InChIKeyUZWRXFZLKAQYQN-UHFFFAOYSA-N
MW251.54 g/mol
LogP3.94
Rot. Bonds2

About 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone

2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone (PubChem CID 130966551) has the molecular formula C10H9Cl3O and a molecular weight of 251.54 g/mol. Its IUPAC name is 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
PubChem CID130966551
Molecular FormulaC10H9Cl3O
Molecular Weight251.54 g/mol
Exact Mass249.97
IUPAC Name2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)C(Cl)Cl)cc(C)c1Cl
InChIInChI=1S/C10H9Cl3O/c1-5-3-7(9(14)10(12)13)4-6(2)8(5)11/h3-4,10H,1-2H3
InChIKeyUZWRXFZLKAQYQN-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(4-chloro-3,5-dimethylphenyl)butan-1-one
CID 146005576
2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
CID 146005570
(4-chloro-3,5-dimethylphenyl) 2,2-dichloroacetate
CID 19170504
1-(4-chloro-3,5-dimethylphenyl)butan-1-one
CID 91656871
methyl 4-(2,2-dichloroacetyl)-3-methylbenzoate
CID 146011211
3,4-dichloro-5-methylbenzamide
CID 121228378
2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate
CID 177306970
5-(4-chloro-3,5-dimethylphenyl)-5-oxopentanoic acid
CID 91657626
1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
CID 118845013
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
CID 84679949
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
1-(4-chloro-3,5-dimethylphenyl)propan-2-one
CID 84774110

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone?
The IUPAC name of 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone (CID 130966551) is 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone is Cc1cc(C(=O)C(Cl)Cl)cc(C)c1Cl.
What is the InChIKey of 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone?
The InChIKey is UZWRXFZLKAQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O/c1-5-3-7(9(14)10(12)13)4-6(2)8(5)11/h3-4,10H,1-2H3.
What are the key properties of 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone?
2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone has a molecular weight of 251.54 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 130966551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).