1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one

C10H10Cl2O — CID 131029150

IUPAC1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1c(C)cccc1Cl
InChIInChI=1S/C10H10Cl2O/c1-6-4-3-5-8(11)9(6)10(12)7(2)13/h3-5,10H,1-2H3
InChIKeyQVLZMTUPVUPVIR-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.52
Rot. Bonds2

About 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one

1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one (PubChem CID 131029150) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one
PubChem CID131029150
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1c(C)cccc1Cl
InChIInChI=1S/C10H10Cl2O/c1-6-4-3-5-8(11)9(6)10(12)7(2)13/h3-5,10H,1-2H3
InChIKeyQVLZMTUPVUPVIR-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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

1-chloro-1-(2,6-dimethylphenyl)propan-2-one
CID 130894296
1-chloro-1-(2-methoxy-6-methylphenyl)propan-2-one
CID 130839901
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
CID 131010218
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
1-(2-amino-3-methylphenyl)-1-chloropropan-2-one
CID 130785658
1-(2-chloro-6-methylphenyl)ethyl-oxosulfanium
CID 174707356
1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715
1-chloro-1-(2-hydroxy-6-methylsulfanylphenyl)propan-2-one
CID 130777829
(1S,2S)-1-(2-chloro-6-methylphenyl)-2-methoxypropan-1-ol
CID 90430903

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one?
The IUPAC name of 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one (CID 131029150) is 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one?
The canonical SMILES for 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one is CC(=O)C(Cl)c1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one?
The InChIKey is QVLZMTUPVUPVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-6-4-3-5-8(11)9(6)10(12)7(2)13/h3-5,10H,1-2H3.
What are the key properties of 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one?
1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one has a molecular weight of 217.09 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one is sourced from PubChem (CID 131029150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).