1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one

C11H12Cl2O2 — CID 79198318

IUPAC1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O2/c1-11(2,15-3)10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3
InChIKeyZIZQILXJUXCFQX-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.60
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one

1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one (PubChem CID 79198318) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one
PubChem CID79198318
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O2/c1-11(2,15-3)10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3
InChIKeyZIZQILXJUXCFQX-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724058
1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
CID 105394318
1-(3,4-diethoxyphenyl)-2-methoxy-2-methylpropan-1-one
CID 79202823
[1-(4-chloro-3-methylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146005911
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
CID 142389018
1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79061193
1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 58252483
3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide
CID 138984141
2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 116611550

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one (CID 79198318) is 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is ZIZQILXJUXCFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-11(2,15-3)10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one?
1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 247.12 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 79198318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).