1-(4-chloro-2-methoxyphenyl)ethanone

C9H9ClO2 — CID 19429468

IUPAC1-(4-chloro-2-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C9H9ClO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3
InChIKeyAKIAOKWHBCDYGR-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.55
Rot. Bonds2

About 1-(4-chloro-2-methoxyphenyl)ethanone

1-(4-chloro-2-methoxyphenyl)ethanone (PubChem CID 19429468) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)ethanone
PubChem CID19429468
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name1-(4-chloro-2-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C9H9ClO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3
InChIKeyAKIAOKWHBCDYGR-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)ethanone (CID 19429468) is 1-(4-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)ethanone is COc1cc(Cl)ccc1C(C)=O.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)ethanone?
The InChIKey is AKIAOKWHBCDYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)ethanone?
1-(4-chloro-2-methoxyphenyl)ethanone has a molecular weight of 184.62 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 19429468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).