3-amino-4-(4-fluorophenoxy)phenol

C12H10FNO2 — CID 14722260

IUPAC3-amino-4-(4-fluorophenoxy)phenol
SMILESNc1cc(O)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C12H10FNO2/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,15H,14H2
InChIKeyBEXXIFILHRXQGK-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.91
Rot. Bonds2

About 3-amino-4-(4-fluorophenoxy)phenol

3-amino-4-(4-fluorophenoxy)phenol (PubChem CID 14722260) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-amino-4-(4-fluorophenoxy)phenol.

Molecular Properties

Compound Name3-amino-4-(4-fluorophenoxy)phenol
PubChem CID14722260
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name3-amino-4-(4-fluorophenoxy)phenol
SMILESNc1cc(O)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C12H10FNO2/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,15H,14H2
InChIKeyBEXXIFILHRXQGK-UHFFFAOYSA-N
XLogP2.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.91
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-(2,4-diaminophenoxy)phenol
CID 19971372
3-amino-4-(2-fluorophenoxy)phenol
CID 14722258
4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697
2-(4-chlorophenoxy)-5-fluoroaniline
CID 26189667
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
2,4-difluoro-6-(4-fluorophenoxy)aniline
CID 113325387

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-fluorophenoxy)phenol?
The IUPAC name of 3-amino-4-(4-fluorophenoxy)phenol (CID 14722260) is 3-amino-4-(4-fluorophenoxy)phenol.
What is the SMILES notation for 3-amino-4-(4-fluorophenoxy)phenol?
The canonical SMILES for 3-amino-4-(4-fluorophenoxy)phenol is Nc1cc(O)ccc1Oc1ccc(F)cc1.
What is the InChIKey of 3-amino-4-(4-fluorophenoxy)phenol?
The InChIKey is BEXXIFILHRXQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,15H,14H2.
What are the key properties of 3-amino-4-(4-fluorophenoxy)phenol?
3-amino-4-(4-fluorophenoxy)phenol has a molecular weight of 219.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-fluorophenoxy)phenol is sourced from PubChem (CID 14722260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).