(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol

C11H13N3O2 — CID 178069278

IUPAC(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol
SMILESCOc1ccccc1[C@@H](O)Cn1ccnn1
InChIInChI=1S/C11H13N3O2/c1-16-11-5-3-2-4-9(11)10(15)8-14-7-6-12-13-14/h2-7,10,15H,8H2,1H3/t10-/m0/s1
InChIKeyRVMZBRFRWFHGQI-JTQLQIEISA-N
MW219.24 g/mol
LogP1.02
Rot. Bonds4

About (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol

(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol (PubChem CID 178069278) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol
PubChem CID178069278
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol
SMILESCOc1ccccc1[C@@H](O)Cn1ccnn1
InChIInChI=1S/C11H13N3O2/c1-16-11-5-3-2-4-9(11)10(15)8-14-7-6-12-13-14/h2-7,10,15H,8H2,1H3/t10-/m0/s1
InChIKeyRVMZBRFRWFHGQI-JTQLQIEISA-N
XLogP1.02
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide
CID 124608281
2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 62231982
ethyl 1-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]triazole-4-carboxylate
CID 96563689
propan-2-yl 1-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 98041804
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol (CID 178069278) is (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol is COc1ccccc1[C@@H](O)Cn1ccnn1.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol?
The InChIKey is RVMZBRFRWFHGQI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-11-5-3-2-4-9(11)10(15)8-14-7-6-12-13-14/h2-7,10,15H,8H2,1H3/t10-/m0/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol?
(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol has a molecular weight of 219.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol is sourced from PubChem (CID 178069278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).