[3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol

C14H14FNO2 — CID 55200960

IUPAC[3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol
SMILESNc1cccc(F)c1COc1cccc(CO)c1
InChIInChI=1S/C14H14FNO2/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-7,17H,8-9,16H2
InChIKeyOXQQIGXJYVLFRV-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.48
Rot. Bonds4

About [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol

[3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 55200960) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol
PubChem CID55200960
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name[3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol
SMILESNc1cccc(F)c1COc1cccc(CO)c1
InChIInChI=1S/C14H14FNO2/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-7,17H,8-9,16H2
InChIKeyOXQQIGXJYVLFRV-UHFFFAOYSA-N
XLogP2.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol (CID 55200960) is [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol is Nc1cccc(F)c1COc1cccc(CO)c1.
What is the InChIKey of [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is OXQQIGXJYVLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-7,17H,8-9,16H2.
What are the key properties of [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol?
[3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 247.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-amino-6-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 55200960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).