1-(2,6-dichlorophenyl)-4-methoxybutan-2-one

C11H12Cl2O2 — CID 62620067

IUPAC1-(2,6-dichlorophenyl)-4-methoxybutan-2-one
SMILESCOCCC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O2/c1-15-6-5-8(14)7-9-10(12)3-2-4-11(9)13/h2-4H,5-7H2,1H3
InChIKeyVVDOLCVCOLZRQT-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.14
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one

1-(2,6-dichlorophenyl)-4-methoxybutan-2-one (PubChem CID 62620067) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-methoxybutan-2-one
PubChem CID62620067
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(2,6-dichlorophenyl)-4-methoxybutan-2-one
SMILESCOCCC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O2/c1-15-6-5-8(14)7-9-10(12)3-2-4-11(9)13/h2-4H,5-7H2,1H3
InChIKeyVVDOLCVCOLZRQT-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-(2-chloro-6-fluorophenyl)-5-methoxypentan-2-one
CID 63023516
1-(2,6-dichlorophenyl)heptan-2-one
CID 62621571
1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62621708
1-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888
1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one
CID 64567976
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-one
CID 65097700
1-(4-chloro-3-methylphenyl)-4-methoxybutan-2-one
CID 165486232
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
1-(2,6-dichlorophenyl)-4-methylpent-4-en-2-one
CID 79179750
4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
CID 116580998
methyl (2Z)-2-[[3-(2,6-dichlorophenyl)-2-oxopropyl]hydrazinylidene]propanoate
CID 87466621
2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 46449388

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one (CID 62620067) is 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one is COCCC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one?
The InChIKey is VVDOLCVCOLZRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-15-6-5-8(14)7-9-10(12)3-2-4-11(9)13/h2-4H,5-7H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-4-methoxybutan-2-one?
1-(2,6-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-(2,6-dichlorophenyl)-4-methoxybutan-2-one is sourced from PubChem (CID 62620067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).