(Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

C20H23N3O2 — CID 70488486

IUPAC(Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SMILESCCOC(C)(C)C(O)/C(=C/c1ccc2ccccc2c1)n1cncn1
InChIInChI=1S/C20H23N3O2/c1-4-25-20(2,3)19(24)18(23-14-21-13-22-23)12-15-9-10-16-7-5-6-8-17(16)11-15/h5-14,19,24H,4H2,1-3H3/b18-12-
InChIKeyROUPIUBHFJLRMU-PDGQHHTCSA-N
MW337.42 g/mol
LogP3.61
Rot. Bonds6

About (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

(Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (PubChem CID 70488486) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
PubChem CID70488486
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SMILESCCOC(C)(C)C(O)/C(=C/c1ccc2ccccc2c1)n1cncn1
InChIInChI=1S/C20H23N3O2/c1-4-25-20(2,3)19(24)18(23-14-21-13-22-23)12-15-9-10-16-7-5-6-8-17(16)11-15/h5-14,19,24H,4H2,1-3H3/b18-12-
InChIKeyROUPIUBHFJLRMU-PDGQHHTCSA-N
XLogP3.61
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-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 (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The IUPAC name of (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (CID 70488486) is (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.
What is the SMILES notation for (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The canonical SMILES for (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is CCOC(C)(C)C(O)/C(=C/c1ccc2ccccc2c1)n1cncn1.
What is the InChIKey of (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The InChIKey is ROUPIUBHFJLRMU-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-25-20(2,3)19(24)18(23-14-21-13-22-23)12-15-9-10-16-7-5-6-8-17(16)11-15/h5-14,19,24H,4H2,1-3H3/b18-12-.
What are the key properties of (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
(Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol has a molecular weight of 337.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethoxy-4-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is sourced from PubChem (CID 70488486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).