3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid

C15H12Cl2O3 — CID 133245608

IUPAC3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C15H12Cl2O3/c16-11-7-6-10(13(17)9-11)8-14(15(18)19)20-12-4-2-1-3-5-12/h1-7,9,14H,8H2,(H,18,19)
InChIKeyLYRVMLRUIPBOSE-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.07
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid

3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid (PubChem CID 133245608) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
PubChem CID133245608
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C15H12Cl2O3/c16-11-7-6-10(13(17)9-11)8-14(15(18)19)20-12-4-2-1-3-5-12/h1-7,9,14H,8H2,(H,18,19)
InChIKeyLYRVMLRUIPBOSE-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanoic acid
CID 100539625
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100550207
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536865
(2S)-3-(4-chloro-2-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100537301
3-(4-chloro-2-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133245510
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid (CID 133245608) is 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid is O=C(O)C(Cc1ccc(Cl)cc1Cl)Oc1ccccc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid?
The InChIKey is LYRVMLRUIPBOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-11-7-6-10(13(17)9-11)8-14(15(18)19)20-12-4-2-1-3-5-12/h1-7,9,14H,8H2,(H,18,19).
What are the key properties of 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid?
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid has a molecular weight of 311.16 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 133245608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).