(2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol

C15H20ClN3O — CID 7101972

IUPAC(2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
SMILESCC(C)(C)[C@H](O)[C@H](Cc1ccccc1Cl)n1cncn1
InChIInChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-6-4-5-7-12(11)16/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m0/s1
InChIKeyYQUISVHISMYYOC-UONOGXRCSA-N
MW293.80 g/mol
LogP3.12
Rot. Bonds4

About (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol

(2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol (PubChem CID 7101972) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
PubChem CID7101972
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
SMILESCC(C)(C)[C@H](O)[C@H](Cc1ccccc1Cl)n1cncn1
InChIInChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-6-4-5-7-12(11)16/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m0/s1
InChIKeyYQUISVHISMYYOC-UONOGXRCSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol with MolForge

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Related Compounds

(3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;(3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 6436297
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper
CID 67683151
7-[1-(2-chlorophenyl)ethoxy]-2,2-dimethyl-4-(1,2,4-triazol-1-yl)heptan-3-ol
CID 67230047
1-(4-chlorophenoxy)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 22163228
(E,3R,4R)-8-(2,3-dichlorophenoxy)-2,2,6,7-tetramethyl-4-(1,2,4-triazol-1-yl)oct-6-en-3-ol
CID 46179311
1-(2,3-dichlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 19358577
8-chloro-2,2-dimethyl-4-(1,2,4-triazol-1-yl)octan-3-ol
CID 67212815
7-(2,4-difluorophenyl)-2,2,6-trimethyl-4-(1,2,4-triazol-1-yl)heptan-3-ol
CID 67230664
9-(2-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)nonan-3-one
CID 91430359
1-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 22158412
(2S,3S)-1-(4-chlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 101425684
1-(4-aminophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 13071959

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
The IUPAC name of (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol (CID 7101972) is (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol.
What is the SMILES notation for (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
The canonical SMILES for (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is CC(C)(C)[C@H](O)[C@H](Cc1ccccc1Cl)n1cncn1.
What is the InChIKey of (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
The InChIKey is YQUISVHISMYYOC-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-6-4-5-7-12(11)16/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol?
(2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol has a molecular weight of 293.80 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(2-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol is sourced from PubChem (CID 7101972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).