1-(2-chloro-3,4-dimethoxyphenyl)ethanone

C10H11ClO3 — CID 83953554

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(Cl)c1OC
InChIInChI=1S/C10H11ClO3/c1-6(12)7-4-5-8(13-2)10(14-3)9(7)11/h4-5H,1-3H3
InChIKeyXNVQNXSFTCDQPB-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-chloro-3,4-dimethoxyphenyl)ethanone

1-(2-chloro-3,4-dimethoxyphenyl)ethanone (PubChem CID 83953554) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)ethanone
PubChem CID83953554
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(Cl)c1OC
InChIInChI=1S/C10H11ClO3/c1-6(12)7-4-5-8(13-2)10(14-3)9(7)11/h4-5H,1-3H3
InChIKeyXNVQNXSFTCDQPB-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)ethanone (CID 83953554) is 1-(2-chloro-3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)ethanone is COc1ccc(C(C)=O)c(Cl)c1OC.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)ethanone?
The InChIKey is XNVQNXSFTCDQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(12)7-4-5-8(13-2)10(14-3)9(7)11/h4-5H,1-3H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)ethanone?
1-(2-chloro-3,4-dimethoxyphenyl)ethanone has a molecular weight of 214.65 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 83953554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).