5-amino-3-fluoro-2-phenylmethoxybenzoic acid

C14H12FNO3 — CID 141155848

IUPAC5-amino-3-fluoro-2-phenylmethoxybenzoic acid
SMILESNc1cc(F)c(OCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C14H12FNO3/c15-12-7-10(16)6-11(14(17)18)13(12)19-8-9-4-2-1-3-5-9/h1-7H,8,16H2,(H,17,18)
InChIKeyILUKHJXOBLLSAO-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.69
Rot. Bonds4

About 5-amino-3-fluoro-2-phenylmethoxybenzoic acid

5-amino-3-fluoro-2-phenylmethoxybenzoic acid (PubChem CID 141155848) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name5-amino-3-fluoro-2-phenylmethoxybenzoic acid
PubChem CID141155848
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name5-amino-3-fluoro-2-phenylmethoxybenzoic acid
SMILESNc1cc(F)c(OCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C14H12FNO3/c15-12-7-10(16)6-11(14(17)18)13(12)19-8-9-4-2-1-3-5-9/h1-7H,8,16H2,(H,17,18)
InChIKeyILUKHJXOBLLSAO-UHFFFAOYSA-N
XLogP2.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-phenylmethoxybenzoic acid?
The IUPAC name of 5-amino-3-fluoro-2-phenylmethoxybenzoic acid (CID 141155848) is 5-amino-3-fluoro-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 5-amino-3-fluoro-2-phenylmethoxybenzoic acid?
The canonical SMILES for 5-amino-3-fluoro-2-phenylmethoxybenzoic acid is Nc1cc(F)c(OCc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-3-fluoro-2-phenylmethoxybenzoic acid?
The InChIKey is ILUKHJXOBLLSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-12-7-10(16)6-11(14(17)18)13(12)19-8-9-4-2-1-3-5-9/h1-7H,8,16H2,(H,17,18).
What are the key properties of 5-amino-3-fluoro-2-phenylmethoxybenzoic acid?
5-amino-3-fluoro-2-phenylmethoxybenzoic acid has a molecular weight of 261.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 141155848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).