3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid

C17H15ClO4 — CID 146594189

IUPAC3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO4/c18-14-5-1-12(2-6-14)11-16(19)13-3-7-15(8-4-13)22-10-9-17(20)21/h1-8H,9-11H2,(H,20,21)
InChIKeyUSYLDQBQDFEQEV-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.62
Rot. Bonds7

About 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid

3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid (PubChem CID 146594189) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid
PubChem CID146594189
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Name3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO4/c18-14-5-1-12(2-6-14)11-16(19)13-3-7-15(8-4-13)22-10-9-17(20)21/h1-8H,9-11H2,(H,20,21)
InChIKeyUSYLDQBQDFEQEV-UHFFFAOYSA-N
XLogP3.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-2,2-dimethylbutanoic acid
CID 146593972
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
CID 146593862
4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-3-methylpentanoic acid
CID 146594323
2-[4-[2-(4-chlorophenoxy)ethylsulfanyl]phenyl]acetic acid
CID 64928357
1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
CID 63527517
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
methyl 4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-2,3-dimethylbutanoate
CID 146594284

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid?
The IUPAC name of 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid (CID 146594189) is 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid?
The canonical SMILES for 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid is O=C(O)CCOc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid?
The InChIKey is USYLDQBQDFEQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c18-14-5-1-12(2-6-14)11-16(19)13-3-7-15(8-4-13)22-10-9-17(20)21/h1-8H,9-11H2,(H,20,21).
What are the key properties of 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid?
3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid has a molecular weight of 318.76 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid is sourced from PubChem (CID 146594189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).