2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine

C14H12ClN3O2 — CID 114734080

IUPAC2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H12ClN3O2/c1-2-7-19-14-17-12(16-13(15)18-14)11-8-9-5-3-4-6-10(9)20-11/h3-6,8H,2,7H2,1H3
InChIKeyNZYOKYCZWVJPSP-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.73
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine

2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine (PubChem CID 114734080) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine
PubChem CID114734080
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H12ClN3O2/c1-2-7-19-14-17-12(16-13(15)18-14)11-8-9-5-3-4-6-10(9)20-11/h3-6,8H,2,7H2,1H3
InChIKeyNZYOKYCZWVJPSP-UHFFFAOYSA-N
XLogP3.73
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine (CID 114734080) is 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine?
The InChIKey is NZYOKYCZWVJPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-2-7-19-14-17-12(16-13(15)18-14)11-8-9-5-3-4-6-10(9)20-11/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine?
2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine has a molecular weight of 289.72 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 114734080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).