2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol

C14H13FN2O2 — CID 71544063

IUPAC2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol
SMILESCOc1ccc(/N=N/Cc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C14H13FN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3/b17-16+
InChIKeyYCDGCMZFQLJQCV-WUKNDPDISA-N
MW260.27 g/mol
LogP3.82
Rot. Bonds4

About 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol

2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol (PubChem CID 71544063) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol
PubChem CID71544063
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol
SMILESCOc1ccc(/N=N/Cc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C14H13FN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3/b17-16+
InChIKeyYCDGCMZFQLJQCV-WUKNDPDISA-N
XLogP3.82
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]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

5-[(4-methoxyphenyl)methyldiazenyl]benzene-1,3-dicarboxylic acid
CID 90925844
(3-methoxyphenyl)-[(3-methoxyphenyl)methyl]diazene
CID 157276293
1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111794638
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
CID 107685258
1-(3-ethoxypropyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111439325
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111795345
3,4,6-trichloro-2-[(4-methoxyphenyl)diazenyl]phenol
CID 136695317
(4-methoxyphenyl)-methyldiazene
CID 20589170
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene
CID 170922069
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
CID 176556614

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol (CID 71544063) is 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol is COc1ccc(/N=N/Cc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol?
The InChIKey is YCDGCMZFQLJQCV-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-12-5-3-11(4-6-12)17-16-9-10-2-7-14(18)13(15)8-10/h2-8,18H,9H2,1H3/b17-16+.
What are the key properties of 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol?
2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol has a molecular weight of 260.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(4-methoxyphenyl)diazenyl]methyl]phenol is sourced from PubChem (CID 71544063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).