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

C10H9F3O3 — CID 46737581

IUPAC2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid
SMILESCOc1cc(CC(=O)O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-16-8-3-6(4-9(14)15)2-7(5-8)10(11,12)13/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyQROADCOZBAMFID-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.34
Rot. Bonds3

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

2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 46737581) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID46737581
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid
SMILESCOc1cc(CC(=O)O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-16-8-3-6(4-9(14)15)2-7(5-8)10(11,12)13/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyQROADCOZBAMFID-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid (CID 46737581) is 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid is COc1cc(CC(=O)O)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is QROADCOZBAMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-16-8-3-6(4-9(14)15)2-7(5-8)10(11,12)13/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid?
2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 234.17 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 46737581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).