1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone

C11H13ClO2 — CID 83885932

IUPAC1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone
SMILESCCc1cc(Cl)c(OC)c(C(C)=O)c1
InChIInChI=1S/C11H13ClO2/c1-4-8-5-9(7(2)13)11(14-3)10(12)6-8/h5-6H,4H2,1-3H3
InChIKeyXZXWZBXKHGDUAP-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.11
Rot. Bonds3

About 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone

1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone (PubChem CID 83885932) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone
PubChem CID83885932
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone
SMILESCCc1cc(Cl)c(OC)c(C(C)=O)c1
InChIInChI=1S/C11H13ClO2/c1-4-8-5-9(7(2)13)11(14-3)10(12)6-8/h5-6H,4H2,1-3H3
InChIKeyXZXWZBXKHGDUAP-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-ethyl-2-fluorophenyl)ethanone
CID 117289594
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanone
CID 83892755
3-acetyl-5-chloro-4-methoxybenzaldehyde
CID 171002136
2-(3-chloro-5-ethyl-2-methoxyphenyl)propanoic acid
CID 83899438
1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389834
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225
5-ethyl-2-methoxy-3-nitrobenzoyl chloride
CID 50882213
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone (CID 83885932) is 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone is CCc1cc(Cl)c(OC)c(C(C)=O)c1.
What is the InChIKey of 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone?
The InChIKey is XZXWZBXKHGDUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-4-8-5-9(7(2)13)11(14-3)10(12)6-8/h5-6H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone?
1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone has a molecular weight of 212.68 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone is sourced from PubChem (CID 83885932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).