1-(2,4-dichlorophenyl)-4-methoxybutan-2-one

C11H12Cl2O2 — CID 62621708

IUPAC1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
SMILESCOCCC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O2/c1-15-5-4-10(14)6-8-2-3-9(12)7-11(8)13/h2-3,7H,4-6H2,1H3
InChIKeyZLKUNFATTOMABG-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.14
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one

1-(2,4-dichlorophenyl)-4-methoxybutan-2-one (PubChem CID 62621708) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
PubChem CID62621708
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
SMILESCOCCC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O2/c1-15-5-4-10(14)6-8-2-3-9(12)7-11(8)13/h2-3,7H,4-6H2,1H3
InChIKeyZLKUNFATTOMABG-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-4-methoxybutan-2-one
CID 114853710
1-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888
1-(2,6-dichlorophenyl)-4-methoxybutan-2-one
CID 62620067
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
5-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116571231
7-amino-1-(2,4-dichlorophenyl)heptan-2-one
CID 116549900
1-(4-chloro-3-methylphenyl)-4-methoxybutan-2-one
CID 165486232
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one (CID 62621708) is 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one is COCCC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one?
The InChIKey is ZLKUNFATTOMABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-15-5-4-10(14)6-8-2-3-9(12)7-11(8)13/h2-3,7H,4-6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one?
1-(2,4-dichlorophenyl)-4-methoxybutan-2-one has a molecular weight of 247.12 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-methoxybutan-2-one is sourced from PubChem (CID 62621708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).