(1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol

C19H20FN3O — CID 14990569

IUPAC(1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc2c(c1)nnn2C1CCCCC1
InChIInChI=1S/C19H20FN3O/c20-15-9-6-13(7-10-15)19(24)14-8-11-18-17(12-14)21-22-23(18)16-4-2-1-3-5-16/h6-12,16,19,24H,1-5H2
InChIKeyZBXICGLFTFTOOO-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.16
Rot. Bonds3

About (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol

(1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol (PubChem CID 14990569) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol
PubChem CID14990569
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name(1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc2c(c1)nnn2C1CCCCC1
InChIInChI=1S/C19H20FN3O/c20-15-9-6-13(7-10-15)19(24)14-8-11-18-17(12-14)21-22-23(18)16-4-2-1-3-5-16/h6-12,16,19,24H,1-5H2
InChIKeyZBXICGLFTFTOOO-UHFFFAOYSA-N
XLogP4.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)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 (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol?
The IUPAC name of (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol (CID 14990569) is (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol?
The canonical SMILES for (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1ccc2c(c1)nnn2C1CCCCC1.
What is the InChIKey of (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol?
The InChIKey is ZBXICGLFTFTOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-15-9-6-13(7-10-15)19(24)14-8-11-18-17(12-14)21-22-23(18)16-4-2-1-3-5-16/h6-12,16,19,24H,1-5H2.
What are the key properties of (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol?
(1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol has a molecular weight of 325.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylbenzotriazol-5-yl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 14990569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).