2,3-bis(3,4-dichlorophenyl)propanoic acid

C15H10Cl4O2 — CID 131874584

IUPAC2,3-bis(3,4-dichlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl4O2/c16-11-3-1-8(6-13(11)18)5-10(15(20)21)9-2-4-12(17)14(19)7-9/h1-4,6-7,10H,5H2,(H,20,21)
InChIKeyNVJAFMSWIKYRKO-UHFFFAOYSA-N
MW364.06 g/mol
LogP5.71
Rot. Bonds4

About 2,3-bis(3,4-dichlorophenyl)propanoic acid

2,3-bis(3,4-dichlorophenyl)propanoic acid (PubChem CID 131874584) has the molecular formula C15H10Cl4O2 and a molecular weight of 364.06 g/mol. Its IUPAC name is 2,3-bis(3,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2,3-bis(3,4-dichlorophenyl)propanoic acid
PubChem CID131874584
Molecular FormulaC15H10Cl4O2
Molecular Weight364.06 g/mol
Exact Mass361.94
IUPAC Name2,3-bis(3,4-dichlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl4O2/c16-11-3-1-8(6-13(11)18)5-10(15(20)21)9-2-4-12(17)14(19)7-9/h1-4,6-7,10H,5H2,(H,20,21)
InChIKeyNVJAFMSWIKYRKO-UHFFFAOYSA-N
XLogP5.71
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 ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 83955360
2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923
2-[2-carboxy-2-(3,4-dichlorophenyl)ethyl]benzoic acid
CID 83954012
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83952263
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
CID 79439713
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
CID 82139353
2-chloro-3-(3,4-dichlorophenyl)butanoic acid
CID 83662565
2-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793915
2-(3,4-dichlorophenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 154054083
2-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 82140639

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,4-dichlorophenyl)propanoic acid?
The IUPAC name of 2,3-bis(3,4-dichlorophenyl)propanoic acid (CID 131874584) is 2,3-bis(3,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2,3-bis(3,4-dichlorophenyl)propanoic acid?
The canonical SMILES for 2,3-bis(3,4-dichlorophenyl)propanoic acid is O=C(O)C(Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,3-bis(3,4-dichlorophenyl)propanoic acid?
The InChIKey is NVJAFMSWIKYRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4O2/c16-11-3-1-8(6-13(11)18)5-10(15(20)21)9-2-4-12(17)14(19)7-9/h1-4,6-7,10H,5H2,(H,20,21).
What are the key properties of 2,3-bis(3,4-dichlorophenyl)propanoic acid?
2,3-bis(3,4-dichlorophenyl)propanoic acid has a molecular weight of 364.06 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 131874584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).