2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid

C11H8F6O4 — CID 119021848

IUPAC2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
SMILESCOc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F
InChIInChI=1S/C11H8F6O4/c1-21-6-3-4(10(12,13)14)2-5(8(18)9(19)20)7(6)11(15,16)17/h2-3,8,18H,1H3,(H,19,20)
InChIKeyRNHXNWASZBSOPY-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.85
Rot. Bonds3

About 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid

2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid (PubChem CID 119021848) has the molecular formula C11H8F6O4 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
PubChem CID119021848
Molecular FormulaC11H8F6O4
Molecular Weight318.17 g/mol
Exact Mass318.03
IUPAC Name2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
SMILESCOc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F
InChIInChI=1S/C11H8F6O4/c1-21-6-3-4(10(12,13)14)2-5(8(18)9(19)20)7(6)11(15,16)17/h2-3,8,18H,1H3,(H,19,20)
InChIKeyRNHXNWASZBSOPY-UHFFFAOYSA-N
XLogP2.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119023119
2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134624070
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117458077
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
2-[3-amino-2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658053
2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655894
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117425049

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid (CID 119021848) is 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid is COc1cc(C(F)(F)F)cc(C(O)C(=O)O)c1C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid?
The InChIKey is RNHXNWASZBSOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O4/c1-21-6-3-4(10(12,13)14)2-5(8(18)9(19)20)7(6)11(15,16)17/h2-3,8,18H,1H3,(H,19,20).
What are the key properties of 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid?
2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid has a molecular weight of 318.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 119021848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).