2-[(3-amino-4-fluorophenyl)methoxy]phenol

C13H12FNO2 — CID 105492351

IUPAC2-[(3-amino-4-fluorophenyl)methoxy]phenol
SMILESNc1cc(COc2ccccc2O)ccc1F
InChIInChI=1S/C13H12FNO2/c14-10-6-5-9(7-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7,16H,8,15H2
InChIKeyWWQBMUNRLOYSCC-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.69
Rot. Bonds3

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

2-[(3-amino-4-fluorophenyl)methoxy]phenol (PubChem CID 105492351) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-[(3-amino-4-fluorophenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[(3-amino-4-fluorophenyl)methoxy]phenol
PubChem CID105492351
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name2-[(3-amino-4-fluorophenyl)methoxy]phenol
SMILESNc1cc(COc2ccccc2O)ccc1F
InChIInChI=1S/C13H12FNO2/c14-10-6-5-9(7-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7,16H,8,15H2
InChIKeyWWQBMUNRLOYSCC-UHFFFAOYSA-N
XLogP2.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-4-fluorophenyl)methoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
2-amino-4-[(2-chlorophenoxy)methyl]phenol
CID 117221784
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618
4-[(2-fluorophenoxy)methyl]-2-methoxyphenol
CID 117220257
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
2-[2-[(4-amino-3-fluorophenyl)methoxy]phenyl]ethanol
CID 107712163
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)phenol
CID 117221704
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
2-bromo-5-[(2,3-difluorophenoxy)methyl]aniline
CID 115557545
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-fluorophenyl)methoxy]phenol?
The IUPAC name of 2-[(3-amino-4-fluorophenyl)methoxy]phenol (CID 105492351) is 2-[(3-amino-4-fluorophenyl)methoxy]phenol.
What is the SMILES notation for 2-[(3-amino-4-fluorophenyl)methoxy]phenol?
The canonical SMILES for 2-[(3-amino-4-fluorophenyl)methoxy]phenol is Nc1cc(COc2ccccc2O)ccc1F.
What is the InChIKey of 2-[(3-amino-4-fluorophenyl)methoxy]phenol?
The InChIKey is WWQBMUNRLOYSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-10-6-5-9(7-11(10)15)8-17-13-4-2-1-3-12(13)16/h1-7,16H,8,15H2.
What are the key properties of 2-[(3-amino-4-fluorophenyl)methoxy]phenol?
2-[(3-amino-4-fluorophenyl)methoxy]phenol has a molecular weight of 233.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-fluorophenyl)methoxy]phenol is sourced from PubChem (CID 105492351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).