(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol

C13H17N3O2 — CID 107043902

IUPAC(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
SMILESCc1cc([C@@H](C)O)ccc1OCc1cn(C)nn1
InChIInChI=1S/C13H17N3O2/c1-9-6-11(10(2)17)4-5-13(9)18-8-12-7-16(3)15-14-12/h4-7,10,17H,8H2,1-3H3/t10-/m1/s1
InChIKeyAOVXBOJBFVWESK-SNVBAGLBSA-N
MW247.30 g/mol
LogP1.76
Rot. Bonds4

About (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol

(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 107043902) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
PubChem CID107043902
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
SMILESCc1cc([C@@H](C)O)ccc1OCc1cn(C)nn1
InChIInChI=1S/C13H17N3O2/c1-9-6-11(10(2)17)4-5-13(9)18-8-12-7-16(3)15-14-12/h4-7,10,17H,8H2,1-3H3/t10-/m1/s1
InChIKeyAOVXBOJBFVWESK-SNVBAGLBSA-N
XLogP1.76
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol 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

(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 113387010
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
CID 103866206
(1S)-1-[5-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043853
(1S)-1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043932
1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043841
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
5-bromo-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 113437332
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol
CID 107043845

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol (CID 107043902) is (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol is Cc1cc([C@@H](C)O)ccc1OCc1cn(C)nn1.
What is the InChIKey of (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is AOVXBOJBFVWESK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-6-11(10(2)17)4-5-13(9)18-8-12-7-16(3)15-14-12/h4-7,10,17H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol?
(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107043902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).