2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid

C15H10ClF3O4 — CID 118835656

IUPAC2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H10ClF3O4/c16-11-7-8(13(20)14(21)22)5-6-9(11)10-3-1-2-4-12(10)23-15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyNSZVBTLIWYCDBJ-UHFFFAOYSA-N
MW346.69 g/mol
LogP4.02
Rot. Bonds4

About 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid

2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid (PubChem CID 118835656) has the molecular formula C15H10ClF3O4 and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
PubChem CID118835656
Molecular FormulaC15H10ClF3O4
Molecular Weight346.69 g/mol
Exact Mass346.02
IUPAC Name2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H10ClF3O4/c16-11-7-8(13(20)14(21)22)5-6-9(11)10-3-1-2-4-12(10)23-15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyNSZVBTLIWYCDBJ-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

5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
2-[3-bromo-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170997689
2-hydroxy-2-[3-sulfanyl-4-(trifluoromethoxy)phenyl]acetic acid
CID 170999310
2-[3-(2-bromopropanoyl)-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134657995
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
CID 130293163
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633775
2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid
CID 134658013
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide
CID 71286023
2-hydroxy-2-[4-nitro-3-(trifluoromethoxy)phenyl]acetic acid
CID 134656054
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid (CID 118835656) is 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The InChIKey is NSZVBTLIWYCDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O4/c16-11-7-8(13(20)14(21)22)5-6-9(11)10-3-1-2-4-12(10)23-15(17,18)19/h1-7,13,20H,(H,21,22).
What are the key properties of 2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
2-[3-chloro-4-[2-(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-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118835656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).