2-(2-chlorophenyl)-3-phenoxypropanoic acid

C15H13ClO3 — CID 117244307

IUPAC2-(2-chlorophenyl)-3-phenoxypropanoic acid
SMILESO=C(O)C(COc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H13ClO3/c16-14-9-5-4-8-12(14)13(15(17)18)10-19-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,18)
InChIKeyQTFJBQZPWPIGJD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-chlorophenyl)-3-phenoxypropanoic acid

2-(2-chlorophenyl)-3-phenoxypropanoic acid (PubChem CID 117244307) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-phenoxypropanoic acid
PubChem CID117244307
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-(2-chlorophenyl)-3-phenoxypropanoic acid
SMILESO=C(O)C(COc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H13ClO3/c16-14-9-5-4-8-12(14)13(15(17)18)10-19-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,18)
InChIKeyQTFJBQZPWPIGJD-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384
3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244430
2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
CID 117244378
2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid
CID 82136581
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
(2S)-2-(2-chlorophenyl)-4-(methylamino)-4-oxobutanoic acid
CID 94687943

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-phenoxypropanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-phenoxypropanoic acid (CID 117244307) is 2-(2-chlorophenyl)-3-phenoxypropanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-phenoxypropanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-phenoxypropanoic acid is O=C(O)C(COc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-phenoxypropanoic acid?
The InChIKey is QTFJBQZPWPIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-14-9-5-4-8-12(14)13(15(17)18)10-19-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)-3-phenoxypropanoic acid?
2-(2-chlorophenyl)-3-phenoxypropanoic acid has a molecular weight of 276.72 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-phenoxypropanoic acid is sourced from PubChem (CID 117244307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).