2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol

C15H23N3O2Si — CID 10756992

IUPAC2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
SMILESCOc1ccc(C(O)(Cn2cncn2)C[Si](C)(C)C)cc1
InChIInChI=1S/C15H23N3O2Si/c1-20-14-7-5-13(6-8-14)15(19,10-21(2,3)4)9-18-12-16-11-17-18/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeySOPRGMNDJUZLED-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.51
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol

2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol (PubChem CID 10756992) has the molecular formula C15H23N3O2Si and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
PubChem CID10756992
Molecular FormulaC15H23N3O2Si
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
SMILESCOc1ccc(C(O)(Cn2cncn2)C[Si](C)(C)C)cc1
InChIInChI=1S/C15H23N3O2Si/c1-20-14-7-5-13(6-8-14)15(19,10-21(2,3)4)9-18-12-16-11-17-18/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeySOPRGMNDJUZLED-UHFFFAOYSA-N
XLogP2.51
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543
1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 13391690
2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 19086787
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
2-[4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)decan-2-ol
CID 57249725
(Z)-2-[4-[2-(4-bromophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-4-(4-methoxyphenyl)but-2-enal
CID 123820769
2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 13236903
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70447957
4,4,4-trichloro-1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 15096584
2-(4-fluorophenyl)-5,5-dimethyl-1-(1,2,4-triazol-1-yl)hexane-2,4-diol
CID 19886505
1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 22905746
methyl 2-[2-chloro-4-(4-methoxyphenoxy)phenyl]-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 142588665

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol (CID 10756992) is 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol is COc1ccc(C(O)(Cn2cncn2)C[Si](C)(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol?
The InChIKey is SOPRGMNDJUZLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2Si/c1-20-14-7-5-13(6-8-14)15(19,10-21(2,3)4)9-18-12-16-11-17-18/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol?
2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol has a molecular weight of 305.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol is sourced from PubChem (CID 10756992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).