[1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol

C17H16FN3O2 — CID 94937460

IUPAC[1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol
SMILESCc1ccc(OCc2c(CO)nnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O2/c1-12-2-8-15(9-3-12)23-11-17-16(10-22)19-20-21(17)14-6-4-13(18)5-7-14/h2-9,22H,10-11H2,1H3
InChIKeyDGVMRSPKDDGCSH-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.79
Rot. Bonds5

About [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol

[1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol (PubChem CID 94937460) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol
PubChem CID94937460
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name[1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol
SMILESCc1ccc(OCc2c(CO)nnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O2/c1-12-2-8-15(9-3-12)23-11-17-16(10-22)19-20-21(17)14-6-4-13(18)5-7-14/h2-9,22H,10-11H2,1H3
InChIKeyDGVMRSPKDDGCSH-UHFFFAOYSA-N
XLogP2.79
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol (CID 94937460) is [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol is Cc1ccc(OCc2c(CO)nnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol?
The InChIKey is DGVMRSPKDDGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-12-2-8-15(9-3-12)23-11-17-16(10-22)19-20-21(17)14-6-4-13(18)5-7-14/h2-9,22H,10-11H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol?
[1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol has a molecular weight of 313.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 94937460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).