4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid

C19H14FNO3 — CID 142325651

IUPAC4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid
SMILESNc1ccc(Oc2ccc(-c3ccc(C(=O)O)cc3)c(F)c2)cc1
InChIInChI=1S/C19H14FNO3/c20-18-11-16(24-15-7-5-14(21)6-8-15)9-10-17(18)12-1-3-13(4-2-12)19(22)23/h1-11H,21H2,(H,22,23)
InChIKeyPGAWATTZXAXPRZ-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.57
Rot. Bonds4

About 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid

4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid (PubChem CID 142325651) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid
PubChem CID142325651
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid
SMILESNc1ccc(Oc2ccc(-c3ccc(C(=O)O)cc3)c(F)c2)cc1
InChIInChI=1S/C19H14FNO3/c20-18-11-16(24-15-7-5-14(21)6-8-15)9-10-17(18)12-1-3-13(4-2-12)19(22)23/h1-11H,21H2,(H,22,23)
InChIKeyPGAWATTZXAXPRZ-UHFFFAOYSA-N
XLogP4.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid?
The IUPAC name of 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid (CID 142325651) is 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid.
What is the SMILES notation for 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid?
The canonical SMILES for 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid is Nc1ccc(Oc2ccc(-c3ccc(C(=O)O)cc3)c(F)c2)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid?
The InChIKey is PGAWATTZXAXPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c20-18-11-16(24-15-7-5-14(21)6-8-15)9-10-17(18)12-1-3-13(4-2-12)19(22)23/h1-11H,21H2,(H,22,23).
What are the key properties of 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid?
4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid has a molecular weight of 323.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid is sourced from PubChem (CID 142325651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).