2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid

C15H10ClF3O4 — CID 118807477

IUPAC2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C15H10ClF3O4/c16-12-5-4-9(7-11(12)13(20)14(21)22)8-2-1-3-10(6-8)23-15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyPAMVXPARCXCYJS-UHFFFAOYSA-N
MW346.69 g/mol
LogP4.02
Rot. Bonds4

About 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid

2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid (PubChem CID 118807477) has the molecular formula C15H10ClF3O4 and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
PubChem CID118807477
Molecular FormulaC15H10ClF3O4
Molecular Weight346.69 g/mol
Exact Mass346.02
IUPAC Name2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C15H10ClF3O4/c16-12-5-4-9(7-11(12)13(20)14(21)22)8-2-1-3-10(6-8)23-15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyPAMVXPARCXCYJS-UHFFFAOYSA-N
XLogP4.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
CID 118813097
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807454
2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118818733
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 134633857
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
2-[2-chloro-5-(2,3,6-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633847
2-hydroxy-2-[2-nitro-4-(trifluoromethoxy)phenyl]acetic acid
CID 134656084

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid (CID 118807477) is 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(-c2cccc(OC(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The InChIKey is PAMVXPARCXCYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O4/c16-12-5-4-9(7-11(12)13(20)14(21)22)8-2-1-3-10(6-8)23-15(17,18)19/h1-7,13,20H,(H,21,22).
What are the key properties of 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid has a molecular weight of 346.69 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118807477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).