1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol

C16H23N3O2 — CID 70550144

IUPAC1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol
SMILESCOc1ccccc1CC(O)(Cc1ncn[nH]1)C(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-15(2,3)16(20,10-14-17-11-18-19-14)9-12-7-5-6-8-13(12)21-4/h5-8,11,20H,9-10H2,1-4H3,(H,17,18,19)
InChIKeyDRVYGEIWBGPLII-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.38
Rot. Bonds5

About 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol

1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol (PubChem CID 70550144) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol
PubChem CID70550144
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol
SMILESCOc1ccccc1CC(O)(Cc1ncn[nH]1)C(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-15(2,3)16(20,10-14-17-11-18-19-14)9-12-7-5-6-8-13(12)21-4/h5-8,11,20H,9-10H2,1-4H3,(H,17,18,19)
InChIKeyDRVYGEIWBGPLII-UHFFFAOYSA-N
XLogP2.38
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol?
The IUPAC name of 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol (CID 70550144) is 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol?
The canonical SMILES for 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol is COc1ccccc1CC(O)(Cc1ncn[nH]1)C(C)(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol?
The InChIKey is DRVYGEIWBGPLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15(2,3)16(20,10-14-17-11-18-19-14)9-12-7-5-6-8-13(12)21-4/h5-8,11,20H,9-10H2,1-4H3,(H,17,18,19).
What are the key properties of 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol?
1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethyl)butan-2-ol is sourced from PubChem (CID 70550144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).