2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone

C10H10Cl2O — CID 171008689

IUPAC2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CCl)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-6-3-4-7(2)10(12)9(6)8(13)5-11/h3-4H,5H2,1-2H3
InChIKeyTWNOXOOYPWRFKF-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.38
Rot. Bonds2

About 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone

2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone (PubChem CID 171008689) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
PubChem CID171008689
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CCl)c1Cl
InChIInChI=1S/C10H10Cl2O/c1-6-3-4-7(2)10(12)9(6)8(13)5-11/h3-4H,5H2,1-2H3
InChIKeyTWNOXOOYPWRFKF-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.38
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-(2-chloro-6-methyl-3-nitrophenyl)ethanone
CID 131434082
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
2-chloro-1-(4-chloro-2,3,5,6-tetramethylphenyl)ethanone
CID 23455350
1-(2-bromo-6-methylphenyl)-2-chloroethanone
CID 130742601
2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
CID 130822903
2-bromo-1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 171032827
1-(6-amino-2-chloro-3-methylphenyl)-2-bromoethanone
CID 171022483
2-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004926
2-chloro-1-(2-chloro-4-fluoro-6-methylphenyl)ethanone
CID 130951493
3-chloro-1-(3-chloro-2,4-dimethylphenyl)propan-1-one
CID 91619444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone?
The IUPAC name of 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone (CID 171008689) is 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)CCl)c1Cl.
What is the InChIKey of 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone?
The InChIKey is TWNOXOOYPWRFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-6-3-4-7(2)10(12)9(6)8(13)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone?
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone has a molecular weight of 217.09 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone is sourced from PubChem (CID 171008689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).