(2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol

C11H13N3O — CID 138006541

IUPAC(2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol
SMILESO[C@H](Cc1ccccc1)Cn1ccnn1
InChIInChI=1S/C11H13N3O/c15-11(9-14-7-6-12-13-14)8-10-4-2-1-3-5-10/h1-7,11,15H,8-9H2/t11-/m1/s1
InChIKeyYRBQNFDRIHXWAE-LLVKDONJSA-N
MW203.25 g/mol
LogP0.88
Rot. Bonds4

About (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol

(2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol (PubChem CID 138006541) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol
PubChem CID138006541
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol
SMILESO[C@H](Cc1ccccc1)Cn1ccnn1
InChIInChI=1S/C11H13N3O/c15-11(9-14-7-6-12-13-14)8-10-4-2-1-3-5-10/h1-7,11,15H,8-9H2/t11-/m1/s1
InChIKeyYRBQNFDRIHXWAE-LLVKDONJSA-N
XLogP0.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
CID 56835179
(1R,2R)-1-(4-fluorophenyl)-2-phenyl-3-(triazol-1-yl)propan-1-ol
CID 72546939
(1R,2S)-1-(4-fluorophenyl)-2-phenyl-3-(triazol-1-yl)propan-1-ol
CID 72547200
1-Azolyl-4-phenyl-2-butanone, 59
CID 44604577
(1S,2S)-1-(triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 53326695
1-(1-Octyltriazol-4-yl)-2-phenyl-ethanol
CID 56673743
(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
CID 57400248
2-(1h-Triazol-1-yl)-1-phenylethanol
CID 12811453
(5RS)-3-(3,4-difluorophenyl)-5-(1,2,3-triazol-1-ylmethyl)-4,5-dihydroisoxazole
CID 11334553
2-(2,4-Difluorophenyl)-3-(triazol-1-yl)propane-1,2-diol
CID 57018629
(5S)-3-(3,4-difluorophenyl)-5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole
CID 69630404
4-(3,5-Difluorophenyl)-3-(triazol-1-yl)butan-2-ol
CID 143107483

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol (CID 138006541) is (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol is O[C@H](Cc1ccccc1)Cn1ccnn1.
What is the InChIKey of (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol?
The InChIKey is YRBQNFDRIHXWAE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13N3O/c15-11(9-14-7-6-12-13-14)8-10-4-2-1-3-5-10/h1-7,11,15H,8-9H2/t11-/m1/s1.
What are the key properties of (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol?
(2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol has a molecular weight of 203.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenyl-3-(triazol-1-yl)propan-2-ol is sourced from PubChem (CID 138006541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).