4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid

C14H12FNO3 — CID 106954877

IUPAC4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
SMILESNc1ccc(C(=O)O)c(OCc2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO3/c15-10-3-1-2-9(6-10)8-19-13-7-11(16)4-5-12(13)14(17)18/h1-7H,8,16H2,(H,17,18)
InChIKeyQJPHNSNIXRITBN-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.69
Rot. Bonds4

About 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid

4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid (PubChem CID 106954877) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
PubChem CID106954877
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
SMILESNc1ccc(C(=O)O)c(OCc2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO3/c15-10-3-1-2-9(6-10)8-19-13-7-11(16)4-5-12(13)14(17)18/h1-7H,8,16H2,(H,17,18)
InChIKeyQJPHNSNIXRITBN-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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Related Compounds

4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
4-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 106954773
4-bromo-3-[(3-fluorophenyl)methoxy]aniline
CID 103008828
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
CID 106954770
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid (CID 106954877) is 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid is Nc1ccc(C(=O)O)c(OCc2cccc(F)c2)c1.
What is the InChIKey of 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid?
The InChIKey is QJPHNSNIXRITBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-10-3-1-2-9(6-10)8-19-13-7-11(16)4-5-12(13)14(17)18/h1-7H,8,16H2,(H,17,18).
What are the key properties of 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid?
4-amino-2-[(3-fluorophenyl)methoxy]benzoic 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 4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 106954877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).