1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one

C11H12Cl2O — CID 131057719

IUPAC1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one
SMILESCCc1cc(C(Cl)C(C)=O)ccc1Cl
InChIInChI=1S/C11H12Cl2O/c1-3-8-6-9(4-5-10(8)12)11(13)7(2)14/h4-6,11H,3H2,1-2H3
InChIKeyDNJBQLUMARNOFG-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.77
Rot. Bonds3

About 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one

1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one (PubChem CID 131057719) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one
PubChem CID131057719
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one
SMILESCCc1cc(C(Cl)C(C)=O)ccc1Cl
InChIInChI=1S/C11H12Cl2O/c1-3-8-6-9(4-5-10(8)12)11(13)7(2)14/h4-6,11H,3H2,1-2H3
InChIKeyDNJBQLUMARNOFG-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.77
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-[5-(1-chloro-2-oxopropyl)-2-methylphenyl]acetic acid
CID 131309760
1-chloro-1-(4-ethyl-3-nitrophenyl)propan-2-one
CID 131320722
2-amino-2-(4-chloro-3-ethylphenyl)ethanol
CID 166687598
1-chloro-1-[3-(chloromethyl)-4-ethoxyphenyl]propan-2-one
CID 131296243
1-[4-(bromomethyl)-3-methylphenyl]-1-chloropropan-2-one
CID 118826731
1-[3-amino-4-(chloromethyl)phenyl]-1-chloropropan-2-one
CID 131092418
1-chloro-1-[4-(chloromethyl)-3-methylsulfanylphenyl]propan-2-one
CID 131388274
N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine
CID 166076925
2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one
CID 131030285
1-chloro-1-(4-ethoxy-3-sulfanylphenyl)propan-2-one
CID 166641869
4-chloro-3-ethylbenzoic acid
CID 21412279
1-(3-amino-4-methylphenyl)-1-chloropropan-2-one
CID 118815436

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one?
The IUPAC name of 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one (CID 131057719) is 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one?
The canonical SMILES for 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one is CCc1cc(C(Cl)C(C)=O)ccc1Cl.
What is the InChIKey of 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one?
The InChIKey is DNJBQLUMARNOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-3-8-6-9(4-5-10(8)12)11(13)7(2)14/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one?
1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one has a molecular weight of 231.12 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one is sourced from PubChem (CID 131057719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).