2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol

C14H12FN3O3 — CID 66907746

IUPAC2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol
SMILESCOc1cc(CO)c(O)c(-n2nc3ccc(F)cc3n2)c1
InChIInChI=1S/C14H12FN3O3/c1-21-10-4-8(7-19)14(20)13(6-10)18-16-11-3-2-9(15)5-12(11)17-18/h2-6,19-20H,7H2,1H3
InChIKeyGMYKOZKDFXJXHJ-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.77
Rot. Bonds3

About 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol

2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol (PubChem CID 66907746) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol
PubChem CID66907746
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol
SMILESCOc1cc(CO)c(O)c(-n2nc3ccc(F)cc3n2)c1
InChIInChI=1S/C14H12FN3O3/c1-21-10-4-8(7-19)14(20)13(6-10)18-16-11-3-2-9(15)5-12(11)17-18/h2-6,19-20H,7H2,1H3
InChIKeyGMYKOZKDFXJXHJ-UHFFFAOYSA-N
XLogP1.77
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol 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

2-(2'-Hydroxy-5'-methylphenyl)-5-methoxybenztriazole
CID 15538117
2-(5-Methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672844
2-hydroxy-5-methoxy-3-(5-(trifluoromethyl)-2H-benzo[d][1,2,3]triazol-2-yl)benzyl methacrylate
CID 59317397
3-(5-fluoro-2H-benzo[d][1,2,3]triazol-2-yl)-2-hydroxy-5-methoxybenzyl methacrylate
CID 59317400
2-(hydroxymethyl)-4-methoxy-6-(5-(trifluoromethyl)-2H-benzo[d][1,2,3]triazol-2-yl)phenol
CID 59317403
2-Methoxy-4-prop-2-enyl-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 66874045
2-(Iodomethyl)-4-methoxy-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 68209778
3-[3-Tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenoxy]propyl 2-methylprop-2-enoate
CID 89901961
2-Tert-butyl-4-(3-hydroxypropoxy)-6-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
CID 89908459
(E)-4-[2-hydroxy-5-methoxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-2-methylbut-2-enoic acid
CID 89912457
4-[2-Hydroxy-5-methoxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]-2-methylidenebutanoic acid
CID 89912458
4-[3-(5-Fluorobenzotriazol-2-yl)-2-hydroxy-5-methoxyphenyl]-2-methylidenebutanoic acid
CID 91190824

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol?
The IUPAC name of 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol (CID 66907746) is 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol.
What is the SMILES notation for 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol?
The canonical SMILES for 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol is COc1cc(CO)c(O)c(-n2nc3ccc(F)cc3n2)c1.
What is the InChIKey of 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol?
The InChIKey is GMYKOZKDFXJXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-21-10-4-8(7-19)14(20)13(6-10)18-16-11-3-2-9(15)5-12(11)17-18/h2-6,19-20H,7H2,1H3.
What are the key properties of 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol?
2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol has a molecular weight of 289.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorobenzotriazol-2-yl)-6-(hydroxymethyl)-4-methoxyphenol is sourced from PubChem (CID 66907746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).