2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid

C15H11Cl3O2 — CID 79439415

IUPAC2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1c(Cl)cccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H11Cl3O2/c16-12-5-2-1-4-9(12)10(15(19)20)8-11-13(17)6-3-7-14(11)18/h1-7,10H,8H2,(H,19,20)
InChIKeyFXNBCEZKOZCASO-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.06
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid

2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid (PubChem CID 79439415) has the molecular formula C15H11Cl3O2 and a molecular weight of 329.61 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
PubChem CID79439415
Molecular FormulaC15H11Cl3O2
Molecular Weight329.61 g/mol
Exact Mass327.98
IUPAC Name2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1c(Cl)cccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H11Cl3O2/c16-12-5-2-1-4-9(12)10(15(19)20)8-11-13(17)6-3-7-14(11)18/h1-7,10H,8H2,(H,19,20)
InChIKeyFXNBCEZKOZCASO-UHFFFAOYSA-N
XLogP5.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
CID 103038733
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-chlorophenyl)propanoic acid
CID 79439189
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid (CID 79439415) is 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid is O=C(O)C(Cc1c(Cl)cccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid?
The InChIKey is FXNBCEZKOZCASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O2/c16-12-5-2-1-4-9(12)10(15(19)20)8-11-13(17)6-3-7-14(11)18/h1-7,10H,8H2,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid?
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid has a molecular weight of 329.61 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid is sourced from PubChem (CID 79439415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).