3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid

C15H10Cl4O2 — CID 59946858

IUPAC3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid
SMILESO=C(O)CCc1c(Cl)cc(-c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H10Cl4O2/c16-9-1-2-10(14(19)7-9)8-5-12(17)11(13(18)6-8)3-4-15(20)21/h1-2,5-7H,3-4H2,(H,20,21)
InChIKeyBYTQAQIOCJZQOG-UHFFFAOYSA-N
MW364.06 g/mol
LogP5.98
Rot. Bonds4

About 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid

3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid (PubChem CID 59946858) has the molecular formula C15H10Cl4O2 and a molecular weight of 364.06 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid
PubChem CID59946858
Molecular FormulaC15H10Cl4O2
Molecular Weight364.06 g/mol
Exact Mass361.94
IUPAC Name3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid
SMILESO=C(O)CCc1c(Cl)cc(-c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H10Cl4O2/c16-9-1-2-10(14(19)7-9)8-5-12(17)11(13(18)6-8)3-4-15(20)21/h1-2,5-7H,3-4H2,(H,20,21)
InChIKeyBYTQAQIOCJZQOG-UHFFFAOYSA-N
XLogP5.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.06
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-(2,4-dichlorophenyl)benzoic acid
CID 53227684
3-[6-(2,4-dichlorophenyl)-2-methyl-3-pyridinyl]propanoic acid
CID 82452786
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
3-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 127018913
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
3-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenyl]propanoic acid
CID 11530868
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid?
The IUPAC name of 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid (CID 59946858) is 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid is O=C(O)CCc1c(Cl)cc(-c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid?
The InChIKey is BYTQAQIOCJZQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4O2/c16-9-1-2-10(14(19)7-9)8-5-12(17)11(13(18)6-8)3-4-15(20)21/h1-2,5-7H,3-4H2,(H,20,21).
What are the key properties of 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid?
3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid has a molecular weight of 364.06 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 59946858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).