2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid

C16H13ClO4 — CID 167266699

IUPAC2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO4/c17-13-5-1-11(2-6-13)9-15(18)12-3-7-14(8-4-12)21-10-16(19)20/h1-8H,9-10H2,(H,19,20)
InChIKeyWTHROLJTDPHZHZ-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.23
Rot. Bonds6

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

2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid (PubChem CID 167266699) has the molecular formula C16H13ClO4 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
PubChem CID167266699
Molecular FormulaC16H13ClO4
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO4/c17-13-5-1-11(2-6-13)9-15(18)12-3-7-14(8-4-12)21-10-16(19)20/h1-8H,9-10H2,(H,19,20)
InChIKeyWTHROLJTDPHZHZ-UHFFFAOYSA-N
XLogP3.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(4-chlorophenyl)acetyl]phenoxy]propanoic acid
CID 146594189
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-2,2-dimethylbutanoic acid
CID 146593972
[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
CID 146593862
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-3-methylpentanoic acid
CID 146594323
2-[4-(2-aminoacetyl)phenoxy]acetic acid
CID 14536945
2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
CID 174737533
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
methyl 4-[4-[2-(4-chlorophenyl)acetyl]phenoxy]-2,3-dimethylbutanoate
CID 146594284
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
CID 61328747

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid (CID 167266699) is 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid is O=C(O)COc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid?
The InChIKey is WTHROLJTDPHZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO4/c17-13-5-1-11(2-6-13)9-15(18)12-3-7-14(8-4-12)21-10-16(19)20/h1-8H,9-10H2,(H,19,20).
What are the key properties of 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid?
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid has a molecular weight of 304.73 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid is sourced from PubChem (CID 167266699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).