5-amino-2-[(3-fluorophenoxy)methyl]phenol

C13H12FNO2 — CID 117219630

IUPAC5-amino-2-[(3-fluorophenoxy)methyl]phenol
SMILESNc1ccc(COc2cccc(F)c2)c(O)c1
InChIInChI=1S/C13H12FNO2/c14-10-2-1-3-12(6-10)17-8-9-4-5-11(15)7-13(9)16/h1-7,16H,8,15H2
InChIKeyLIBUJZPVCXHRGB-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.69
Rot. Bonds3

About 5-amino-2-[(3-fluorophenoxy)methyl]phenol

5-amino-2-[(3-fluorophenoxy)methyl]phenol (PubChem CID 117219630) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-amino-2-[(3-fluorophenoxy)methyl]phenol.

Molecular Properties

Compound Name5-amino-2-[(3-fluorophenoxy)methyl]phenol
PubChem CID117219630
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name5-amino-2-[(3-fluorophenoxy)methyl]phenol
SMILESNc1ccc(COc2cccc(F)c2)c(O)c1
InChIInChI=1S/C13H12FNO2/c14-10-2-1-3-12(6-10)17-8-9-4-5-11(15)7-13(9)16/h1-7,16H,8,15H2
InChIKeyLIBUJZPVCXHRGB-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'}

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Related Compounds

2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117257148
3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178985
2-[(3-fluorophenoxy)methyl]-4-nitroaniline
CID 62193712
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
3-chloro-4-[(3-fluorophenoxy)methyl]benzenecarbothioamide
CID 102666491
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-fluorophenoxy)methyl]phenol?
The IUPAC name of 5-amino-2-[(3-fluorophenoxy)methyl]phenol (CID 117219630) is 5-amino-2-[(3-fluorophenoxy)methyl]phenol.
What is the SMILES notation for 5-amino-2-[(3-fluorophenoxy)methyl]phenol?
The canonical SMILES for 5-amino-2-[(3-fluorophenoxy)methyl]phenol is Nc1ccc(COc2cccc(F)c2)c(O)c1.
What is the InChIKey of 5-amino-2-[(3-fluorophenoxy)methyl]phenol?
The InChIKey is LIBUJZPVCXHRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-10-2-1-3-12(6-10)17-8-9-4-5-11(15)7-13(9)16/h1-7,16H,8,15H2.
What are the key properties of 5-amino-2-[(3-fluorophenoxy)methyl]phenol?
5-amino-2-[(3-fluorophenoxy)methyl]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 5-amino-2-[(3-fluorophenoxy)methyl]phenol is sourced from PubChem (CID 117219630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).