2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol

C18H16ClN3O2 — CID 91668209

IUPAC2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol
SMILESOc1cc(Cn2cc(C3CC3)nn2)ccc1Oc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2/c19-14-3-1-2-4-17(14)24-18-8-5-12(9-16(18)23)10-22-11-15(20-21-22)13-6-7-13/h1-5,8-9,11,13,23H,6-7,10H2
InChIKeyIZROJXZTNQQASI-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.36
Rot. Bonds5

About 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol

2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol (PubChem CID 91668209) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol
PubChem CID91668209
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol
SMILESOc1cc(Cn2cc(C3CC3)nn2)ccc1Oc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2/c19-14-3-1-2-4-17(14)24-18-8-5-12(9-16(18)23)10-22-11-15(20-21-22)13-6-7-13/h1-5,8-9,11,13,23H,6-7,10H2
InChIKeyIZROJXZTNQQASI-UHFFFAOYSA-N
XLogP4.36
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol?
The IUPAC name of 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol (CID 91668209) is 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol.
What is the SMILES notation for 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol?
The canonical SMILES for 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol is Oc1cc(Cn2cc(C3CC3)nn2)ccc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol?
The InChIKey is IZROJXZTNQQASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-3-1-2-4-17(14)24-18-8-5-12(9-16(18)23)10-22-11-15(20-21-22)13-6-7-13/h1-5,8-9,11,13,23H,6-7,10H2.
What are the key properties of 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol?
2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol has a molecular weight of 341.80 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-5-[(4-cyclopropyltriazol-1-yl)methyl]phenol is sourced from PubChem (CID 91668209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).