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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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).