(2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid

C15H11Cl2FO3 — CID 58333703

IUPAC(2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(F)cc1-c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C15H11Cl2FO3/c1-8(15(19)20)21-14-5-3-10(18)7-12(14)11-4-2-9(16)6-13(11)17/h2-8H,1H3,(H,19,20)/t8-/m0/s1
InChIKeyUVUBPIDMHFSLPL-QMMMGPOBSA-N
MW329.15 g/mol
LogP4.65
Rot. Bonds4

About (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid

(2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid (PubChem CID 58333703) has the molecular formula C15H11Cl2FO3 and a molecular weight of 329.15 g/mol. Its IUPAC name is (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid
PubChem CID58333703
Molecular FormulaC15H11Cl2FO3
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name(2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(F)cc1-c1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C15H11Cl2FO3/c1-8(15(19)20)21-14-5-3-10(18)7-12(14)11-4-2-9(16)6-13(11)17/h2-8H,1H3,(H,19,20)/t8-/m0/s1
InChIKeyUVUBPIDMHFSLPL-QMMMGPOBSA-N
XLogP4.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid?
The IUPAC name of (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid (CID 58333703) is (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid is C[C@H](Oc1ccc(F)cc1-c1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid?
The InChIKey is UVUBPIDMHFSLPL-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H11Cl2FO3/c1-8(15(19)20)21-14-5-3-10(18)7-12(14)11-4-2-9(16)6-13(11)17/h2-8H,1H3,(H,19,20)/t8-/m0/s1.
What are the key properties of (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid?
(2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid has a molecular weight of 329.15 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid is sourced from PubChem (CID 58333703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).