1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol

C12H14FN3O2 — CID 110877245

IUPAC1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
SMILESOC(COCc1ccccc1F)Cn1cnnc1
InChIInChI=1S/C12H14FN3O2/c13-12-4-2-1-3-10(12)6-18-7-11(17)5-16-8-14-15-9-16/h1-4,8-9,11,17H,5-7H2
InChIKeyOLYSLSYQSCIBRR-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.99
Rot. Bonds6

About 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol

1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol (PubChem CID 110877245) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
PubChem CID110877245
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
SMILESOC(COCc1ccccc1F)Cn1cnnc1
InChIInChI=1S/C12H14FN3O2/c13-12-4-2-1-3-10(12)6-18-7-11(17)5-16-8-14-15-9-16/h1-4,8-9,11,17H,5-7H2
InChIKeyOLYSLSYQSCIBRR-UHFFFAOYSA-N
XLogP0.99
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol 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

(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 56823718
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
1-[(2-fluorophenyl)methoxy]-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411586
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 18087060
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 25346087
1-[(2-fluorophenyl)methoxy]-3-(2-phenylimidazol-1-yl)propan-2-ol
CID 111440098
1-(5-tert-butyltetrazol-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 71938129
(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94820762
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 92752913

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol (CID 110877245) is 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol is OC(COCc1ccccc1F)Cn1cnnc1.
What is the InChIKey of 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol?
The InChIKey is OLYSLSYQSCIBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-12-4-2-1-3-10(12)6-18-7-11(17)5-16-8-14-15-9-16/h1-4,8-9,11,17H,5-7H2.
What are the key properties of 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol?
1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol has a molecular weight of 251.26 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol is sourced from PubChem (CID 110877245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).