2-(4-acetyl-2-chlorophenoxy)acetic acid

C10H9ClO4 — CID 13400547

IUPAC2-(4-acetyl-2-chlorophenoxy)acetic acid
SMILESCC(=O)c1ccc(OCC(=O)O)c(Cl)c1
InChIInChI=1S/C10H9ClO4/c1-6(12)7-2-3-9(8(11)4-7)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyJZALPSCCARNFCR-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.01
Rot. Bonds4

About 2-(4-acetyl-2-chlorophenoxy)acetic acid

2-(4-acetyl-2-chlorophenoxy)acetic acid (PubChem CID 13400547) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-(4-acetyl-2-chlorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-acetyl-2-chlorophenoxy)acetic acid
PubChem CID13400547
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name2-(4-acetyl-2-chlorophenoxy)acetic acid
SMILESCC(=O)c1ccc(OCC(=O)O)c(Cl)c1
InChIInChI=1S/C10H9ClO4/c1-6(12)7-2-3-9(8(11)4-7)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyJZALPSCCARNFCR-UHFFFAOYSA-N
XLogP2.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-2-chlorophenoxy)butan-2-one
CID 99578755
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
1-(4-but-2-enoxy-3-chlorophenyl)ethanone
CID 76977275
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
1-[3-chloro-4-(4,4-dimethylpentoxy)phenyl]ethanone
CID 114209497
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
3-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
CID 107306491

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-chlorophenoxy)acetic acid?
The IUPAC name of 2-(4-acetyl-2-chlorophenoxy)acetic acid (CID 13400547) is 2-(4-acetyl-2-chlorophenoxy)acetic acid.
What is the SMILES notation for 2-(4-acetyl-2-chlorophenoxy)acetic acid?
The canonical SMILES for 2-(4-acetyl-2-chlorophenoxy)acetic acid is CC(=O)c1ccc(OCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-(4-acetyl-2-chlorophenoxy)acetic acid?
The InChIKey is JZALPSCCARNFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c1-6(12)7-2-3-9(8(11)4-7)15-5-10(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(4-acetyl-2-chlorophenoxy)acetic acid?
2-(4-acetyl-2-chlorophenoxy)acetic acid has a molecular weight of 228.63 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-chlorophenoxy)acetic acid is sourced from PubChem (CID 13400547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).