[1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol

C11H11F2N3O2 — CID 130302323

IUPAC[1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)nn2)cc1OC(F)F
InChIInChI=1S/C11H11F2N3O2/c1-7-2-3-9(4-10(7)18-11(12)13)16-5-8(6-17)14-15-16/h2-5,11,17H,6H2,1H3
InChIKeyURYHCKNOLFCBEO-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.67
Rot. Bonds4

About [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol

[1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol (PubChem CID 130302323) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol
PubChem CID130302323
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name[1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)nn2)cc1OC(F)F
InChIInChI=1S/C11H11F2N3O2/c1-7-2-3-9(4-10(7)18-11(12)13)16-5-8(6-17)14-15-16/h2-5,11,17H,6H2,1H3
InChIKeyURYHCKNOLFCBEO-UHFFFAOYSA-N
XLogP1.67
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol (CID 130302323) is [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol is Cc1ccc(-n2cc(CO)nn2)cc1OC(F)F.
What is the InChIKey of [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol?
The InChIKey is URYHCKNOLFCBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-7-2-3-9(4-10(7)18-11(12)13)16-5-8(6-17)14-15-16/h2-5,11,17H,6H2,1H3.
What are the key properties of [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol?
[1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol has a molecular weight of 255.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(difluoromethoxy)-4-methylphenyl]triazol-4-yl]methanol is sourced from PubChem (CID 130302323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).