2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C10H8ClF3O4 — CID 117458077

IUPAC2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1C(O)C(=O)O
InChIInChI=1S/C10H8ClF3O4/c1-18-6-3-4(10(12,13)14)2-5(11)7(6)8(15)9(16)17/h2-3,8,15H,1H3,(H,16,17)
InChIKeyWAEDWWVNJFBNBD-UHFFFAOYSA-N
MW284.62 g/mol
LogP2.49
Rot. Bonds3

About 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 117458077) has the molecular formula C10H8ClF3O4 and a molecular weight of 284.62 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID117458077
Molecular FormulaC10H8ClF3O4
Molecular Weight284.62 g/mol
Exact Mass284.01
IUPAC Name2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESCOc1cc(C(F)(F)F)cc(Cl)c1C(O)C(=O)O
InChIInChI=1S/C10H8ClF3O4/c1-18-6-3-4(10(12,13)14)2-5(11)7(6)8(15)9(16)17/h2-3,8,15H,1H3,(H,16,17)
InChIKeyWAEDWWVNJFBNBD-UHFFFAOYSA-N
XLogP2.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.62
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119021848
4-amino-4-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]butanoic acid
CID 117496405
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 117424974
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117425049
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
2-fluoro-3-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171020416
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
2-chloro-1-[2-chloro-3-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171028454
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 117458077) is 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is COc1cc(C(F)(F)F)cc(Cl)c1C(O)C(=O)O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is WAEDWWVNJFBNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O4/c1-18-6-3-4(10(12,13)14)2-5(11)7(6)8(15)9(16)17/h2-3,8,15H,1H3,(H,16,17).
What are the key properties of 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 284.62 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117458077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).