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

C13H15ClO4 — CID 83040836

IUPAC2-(2-acetyl-4-chlorophenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(Cl)cc1C(C)=O)C(=O)O
InChIInChI=1S/C13H15ClO4/c1-3-4-12(13(16)17)18-11-6-5-9(14)7-10(11)8(2)15/h5-7,12H,3-4H2,1-2H3,(H,16,17)
InChIKeyUZBMLRXYKWOMQE-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.17
Rot. Bonds6

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

2-(2-acetyl-4-chlorophenoxy)pentanoic acid (PubChem CID 83040836) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)pentanoic acid
PubChem CID83040836
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name2-(2-acetyl-4-chlorophenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(Cl)cc1C(C)=O)C(=O)O
InChIInChI=1S/C13H15ClO4/c1-3-4-12(13(16)17)18-11-6-5-9(14)7-10(11)8(2)15/h5-7,12H,3-4H2,1-2H3,(H,16,17)
InChIKeyUZBMLRXYKWOMQE-UHFFFAOYSA-N
XLogP3.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-acetyl-4-chlorophenoxy)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-acetyl-4-chlorophenoxy)-4-[4-(4-chlorophenyl)phenyl]butanoic acid
CID 59214926
2-(2-acetyl-4-nitrophenoxy)pentanoic acid
CID 116541638
1-[5-chloro-2-(1-fluoropropoxy)phenyl]ethanone
CID 166156338
2-(4-chloro-2-methylphenoxy)hexanoic acid
CID 23187169
2-(2-chloro-4-ethylphenoxy)pentanoic acid
CID 54793091
1-[2-[2-(bromomethyl)pentoxy]-5-chlorophenyl]ethanone
CID 65011343
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid
CID 69406161
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
4-[[3-carboxy-3-(2,4-dichlorophenoxy)propyl]amino]-2-(2,4-dichlorophenoxy)butanoic acid
CID 175933797

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)pentanoic acid?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)pentanoic acid (CID 83040836) is 2-(2-acetyl-4-chlorophenoxy)pentanoic acid.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)pentanoic acid?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)pentanoic acid is CCCC(Oc1ccc(Cl)cc1C(C)=O)C(=O)O.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)pentanoic acid?
The InChIKey is UZBMLRXYKWOMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c1-3-4-12(13(16)17)18-11-6-5-9(14)7-10(11)8(2)15/h5-7,12H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)pentanoic acid?
2-(2-acetyl-4-chlorophenoxy)pentanoic acid has a molecular weight of 270.71 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)pentanoic acid is sourced from PubChem (CID 83040836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).