2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid

C15H10ClF3O3 — CID 118813097

IUPAC2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C15H10ClF3O3/c16-12-6-3-9(7-11(12)13(20)14(21)22)8-1-4-10(5-2-8)15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyXQBVRYDOAAZCQM-UHFFFAOYSA-N
MW330.69 g/mol
LogP4.14
Rot. Bonds3

About 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid

2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid (PubChem CID 118813097) has the molecular formula C15H10ClF3O3 and a molecular weight of 330.69 g/mol. Its IUPAC name is 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
PubChem CID118813097
Molecular FormulaC15H10ClF3O3
Molecular Weight330.69 g/mol
Exact Mass330.03
IUPAC Name2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C15H10ClF3O3/c16-12-6-3-9(7-11(12)13(20)14(21)22)8-1-4-10(5-2-8)15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyXQBVRYDOAAZCQM-UHFFFAOYSA-N
XLogP4.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807477
2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633847
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313392
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655894
2-[2-(3,4-dichlorophenyl)-5-fluorophenyl]-2-hydroxyacetic acid
CID 134633823
2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 59004794

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid (CID 118813097) is 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid?
The InChIKey is XQBVRYDOAAZCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O3/c16-12-6-3-9(7-11(12)13(20)14(21)22)8-1-4-10(5-2-8)15(17,18)19/h1-7,13,20H,(H,21,22).
What are the key properties of 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid?
2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid has a molecular weight of 330.69 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118813097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).