2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

C58H43Cl5F4O8 — CID 159169161

IUPAC2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESCc1ccc(-c2ccc(Cl)cc2CC(=O)O)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(Cl)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H10ClF3O2.C15H13ClO2.C14H10Cl2O2.C14H10ClFO2/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19;1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15(17)18;15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-14(17)18;15-11-3-6-13(10(7-11)8-14(17)18)9-1-4-12(16)5-2-9/h1-7H,8H2,(H,20,21);2-8H,9H2,1H3,(H,17,18);2*1-7H,8H2,(H,17,18)
InChIKeyKLLQRLMCIIEBJT-UHFFFAOYSA-N
MW1121.23 g/mol
LogP16.66
Rot. Bonds12

About 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 159169161) has the molecular formula C58H43Cl5F4O8 and a molecular weight of 1121.23 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID159169161
Molecular FormulaC58H43Cl5F4O8
Molecular Weight1121.23 g/mol
Exact Mass1118.13
IUPAC Name2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESCc1ccc(-c2ccc(Cl)cc2CC(=O)O)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(Cl)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C15H10ClF3O2.C15H13ClO2.C14H10Cl2O2.C14H10ClFO2/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19;1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15(17)18;15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-14(17)18;15-11-3-6-13(10(7-11)8-14(17)18)9-1-4-12(16)5-2-9/h1-7H,8H2,(H,20,21);2-8H,9H2,1H3,(H,17,18);2*1-7H,8H2,(H,17,18)
InChIKeyKLLQRLMCIIEBJT-UHFFFAOYSA-N
XLogP16.66
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.23
LogP ≤ 516.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid with MolForge

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Related Compounds

2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
2-[2-(4-tert-butylphenyl)-5-chlorophenyl]acetic acid
CID 11558530
2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 158442146
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619443
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
O-[[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]methyl]hydroxylamine
CID 58171465
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 133089726
2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46313326
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
2-[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089720
3-chloro-6-(4-methylphenyl)-12-[4-(trifluoromethyl)phenyl]chrysene
CID 58501237

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 159169161) is 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid is Cc1ccc(-c2ccc(Cl)cc2CC(=O)O)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(Cl)cc1.O=C(O)Cc1cc(Cl)ccc1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is KLLQRLMCIIEBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2.C15H13ClO2.C14H10Cl2O2.C14H10ClFO2/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19;1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15(17)18;15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-14(17)18;15-11-3-6-13(10(7-11)8-14(17)18)9-1-4-12(16)5-2-9/h1-7H,8H2,(H,20,21);2-8H,9H2,1H3,(H,17,18);2*1-7H,8H2,(H,17,18).
What are the key properties of 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 1121.23 g/mol, XLogP of 16.66, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 159169161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).