4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol

C19H19N3O — CID 50954890

IUPAC4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol
SMILESOc1ccc(CC(c2ccccc2)c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C19H19N3O/c23-16-10-6-13(7-11-16)12-17(14-4-2-1-3-5-14)19-20-18(21-22-19)15-8-9-15/h1-7,10-11,15,17,23H,8-9,12H2,(H,20,21,22)
InChIKeyUCVFQJUZBLPGDI-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.76
Rot. Bonds5

About 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol

4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol (PubChem CID 50954890) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol.

Molecular Properties

Compound Name4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol
PubChem CID50954890
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol
SMILESOc1ccc(CC(c2ccccc2)c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C19H19N3O/c23-16-10-6-13(7-11-16)12-17(14-4-2-1-3-5-14)19-20-18(21-22-19)15-8-9-15/h1-7,10-11,15,17,23H,8-9,12H2,(H,20,21,22)
InChIKeyUCVFQJUZBLPGDI-UHFFFAOYSA-N
XLogP3.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol?
The IUPAC name of 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol (CID 50954890) is 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol.
What is the SMILES notation for 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol?
The canonical SMILES for 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol is Oc1ccc(CC(c2ccccc2)c2n[nH]c(C3CC3)n2)cc1.
What is the InChIKey of 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol?
The InChIKey is UCVFQJUZBLPGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-16-10-6-13(7-11-16)12-17(14-4-2-1-3-5-14)19-20-18(21-22-19)15-8-9-15/h1-7,10-11,15,17,23H,8-9,12H2,(H,20,21,22).
What are the key properties of 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol?
4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol has a molecular weight of 305.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-phenylethyl]phenol is sourced from PubChem (CID 50954890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).