(3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol

C17H26ClN3O2Si — CID 67940316

IUPAC(3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol
SMILESCC(O)[C@@H](C)C(Cn1cncn1)(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2Si/c1-13(14(2)22)17(23-24(3,4)5,10-21-12-19-11-20-21)15-6-8-16(18)9-7-15/h6-9,11-14,22H,10H2,1-5H3/t13-,14?,17?/m1/s1
InChIKeyLQUROTVABAELQI-TUBUQKNSSA-N
MW367.95 g/mol
LogP3.70
Rot. Bonds7

About (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol

(3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol (PubChem CID 67940316) has the molecular formula C17H26ClN3O2Si and a molecular weight of 367.95 g/mol. Its IUPAC name is (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol.

Molecular Properties

Compound Name(3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol
PubChem CID67940316
Molecular FormulaC17H26ClN3O2Si
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC Name(3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol
SMILESCC(O)[C@@H](C)C(Cn1cncn1)(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2Si/c1-13(14(2)22)17(23-24(3,4)5,10-21-12-19-11-20-21)15-6-8-16(18)9-7-15/h6-9,11-14,22H,10H2,1-5H3/t13-,14?,17?/m1/s1
InChIKeyLQUROTVABAELQI-TUBUQKNSSA-N
XLogP3.70
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol with MolForge

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Related Compounds

(2S,3R)-2-(4-chlorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentane-2,3-diol
CID 3007691
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
(2R,3S)-2-(2,4-dichlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,4-diol
CID 57249009
(2S)-1,2-bis(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
CID 11233774
2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol
CID 139941557
(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
CID 10313850
1-[2-(4-chlorophenyl)-3-cyclopropyl-2-methylbutyl]-1,2,4-triazole
CID 71296090
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68910140
(2S,3R)-2-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-2,3-diol
CID 3007709
(2R,3R)-2-(4-chlorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10712647

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol?
The IUPAC name of (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol (CID 67940316) is (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol.
What is the SMILES notation for (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol?
The canonical SMILES for (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol is CC(O)[C@@H](C)C(Cn1cncn1)(O[Si](C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol?
The InChIKey is LQUROTVABAELQI-TUBUQKNSSA-N. The full InChI is InChI=1S/C17H26ClN3O2Si/c1-13(14(2)22)17(23-24(3,4)5,10-21-12-19-11-20-21)15-6-8-16(18)9-7-15/h6-9,11-14,22H,10H2,1-5H3/t13-,14?,17?/m1/s1.
What are the key properties of (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol?
(3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol has a molecular weight of 367.95 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol is sourced from PubChem (CID 67940316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).