4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol

C13H12FNO2 — CID 105492360

IUPAC4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol
SMILESNc1ccc(O)cc1C(O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(16)5-6-12(11)15/h1-7,13,16-17H,15H2
InChIKeyKKMGEJJMDVKEQS-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.20
Rot. Bonds2

About 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol

4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol (PubChem CID 105492360) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol
PubChem CID105492360
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol
SMILESNc1ccc(O)cc1C(O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(16)5-6-12(11)15/h1-7,13,16-17H,15H2
InChIKeyKKMGEJJMDVKEQS-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol?
The IUPAC name of 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol (CID 105492360) is 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol.
What is the SMILES notation for 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol?
The canonical SMILES for 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol is Nc1ccc(O)cc1C(O)c1ccc(F)cc1.
What is the InChIKey of 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol?
The InChIKey is KKMGEJJMDVKEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(16)5-6-12(11)15/h1-7,13,16-17H,15H2.
What are the key properties of 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol?
4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol has a molecular weight of 233.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol is sourced from PubChem (CID 105492360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).