[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol

C16H13ClFN3O — CID 94943384

IUPAC[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccc(Cl)c2)c1-c1ccccc1F
InChIInChI=1S/C16H13ClFN3O/c17-12-5-3-4-11(8-12)9-21-16(15(10-22)19-20-21)13-6-1-2-7-14(13)18/h1-8,22H,9-10H2
InChIKeyJEDRFVPPWHIXDF-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.28
Rot. Bonds4

About [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol

[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol (PubChem CID 94943384) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
PubChem CID94943384
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccc(Cl)c2)c1-c1ccccc1F
InChIInChI=1S/C16H13ClFN3O/c17-12-5-3-4-11(8-12)9-21-16(15(10-22)19-20-21)13-6-1-2-7-14(13)18/h1-8,22H,9-10H2
InChIKeyJEDRFVPPWHIXDF-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol 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

[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206438
[1-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanol
CID 82203633
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82203675
5-bromo-1-[(3-chlorophenyl)methyl]tetrazole
CID 82093565
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
1-[(3-chlorophenyl)methyl]-5-(3-fluorophenyl)triazole-4-carbonitrile
CID 94943388

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol (CID 94943384) is [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol is OCc1nnn(Cc2cccc(Cl)c2)c1-c1ccccc1F.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is JEDRFVPPWHIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-12-5-3-4-11(8-12)9-21-16(15(10-22)19-20-21)13-6-1-2-7-14(13)18/h1-8,22H,9-10H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol?
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 317.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 94943384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).