1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone

C11H13ClO2 — CID 83885925

IUPAC1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
SMILESCOc1c(C(C)=O)cc(Cl)c(C)c1C
InChIInChI=1S/C11H13ClO2/c1-6-7(2)11(14-4)9(8(3)13)5-10(6)12/h5H,1-4H3
InChIKeyOJADSNNSBFQPCS-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.17
Rot. Bonds2

About 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone

1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone (PubChem CID 83885925) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
PubChem CID83885925
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
SMILESCOc1c(C(C)=O)cc(Cl)c(C)c1C
InChIInChI=1S/C11H13ClO2/c1-6-7(2)11(14-4)9(8(3)13)5-10(6)12/h5H,1-4H3
InChIKeyOJADSNNSBFQPCS-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-acetyl-5-chloro-2-methoxy-6-methylphenyl)cyclobutane-1,2-dione
CID 142719848
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434
[2-(3-acetyl-5-chloro-2-methoxy-6-methylphenyl)-2-hydroxyethyl]carbamic acid
CID 89420689
2-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-oxoacetic acid
CID 117400181
1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone
CID 86677773
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanone
CID 83892755
3-acetyl-5-chloro-4-methoxybenzaldehyde
CID 171002136
1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone
CID 83885932
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83898955
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566
5-bromo-2-methoxy-3,4-dimethylbenzoyl chloride
CID 50883137
3-acetyl-2-methoxy-5-methylcyclohepta-2,4,6-trien-1-one
CID 14948663

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone (CID 83885925) is 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone is COc1c(C(C)=O)cc(Cl)c(C)c1C.
What is the InChIKey of 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone?
The InChIKey is OJADSNNSBFQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-6-7(2)11(14-4)9(8(3)13)5-10(6)12/h5H,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone?
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone has a molecular weight of 212.68 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 83885925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).