2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol

C14H12FN3O — CID 135041093

IUPAC2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol
SMILESOC(Cn1nnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8,14,19H,9H2
InChIKeyLPMYRVUBJVFYDC-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.30
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol

2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol (PubChem CID 135041093) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol
PubChem CID135041093
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol
SMILESOC(Cn1nnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8,14,19H,9H2
InChIKeyLPMYRVUBJVFYDC-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,3-Benzotriazol-1-ylmethyl)phenol
CID 3491594
(1-methyl-1H-1,2,3-benzotriazol-5-yl)methanol
CID 2776552
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol
CID 3696191
1-(4-Aminophenyl)-2-(benzotriazol-1-yl)ethanol
CID 15959245
2-(Benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol
CID 15959248
2-(Benzotriazol-1-yl)-1-(4-dimethylaminophenyl)ethanol
CID 15959249
2-[1-(1H-1,2,3-Benzotriazol-1-yl)ethyl]-6-methylphenol
CID 3803619
(1-Benzylindazol-3-yl)methanol
CID 10657568
3-(Benzotriazol-1-yl)-1-phenylpropan-1-ol
CID 3525185
2-(Benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53377790
(2R,3R,4R)-3-(benzotriazol-1-yl)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 172440198
1-(Ethoxyphenylmethyl)-1H-benzotriazole
CID 3729020

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol (CID 135041093) is 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol is OC(Cn1nnc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol?
The InChIKey is LPMYRVUBJVFYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8,14,19H,9H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol?
2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol has a molecular weight of 257.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 135041093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).