2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine

C14H11Cl2N3O2 — CID 114734361

IUPAC2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-c2cc3cccc(Cl)c3o2)n1
InChIInChI=1S/C14H11Cl2N3O2/c1-7(2)20-14-18-12(17-13(16)19-14)10-6-8-4-3-5-9(15)11(8)21-10/h3-7H,1-2H3
InChIKeyDIFOBECMGIDMSU-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.38
Rot. Bonds3

About 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 114734361) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID114734361
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-c2cc3cccc(Cl)c3o2)n1
InChIInChI=1S/C14H11Cl2N3O2/c1-7(2)20-14-18-12(17-13(16)19-14)10-6-8-4-3-5-9(15)11(8)21-10/h3-7H,1-2H3
InChIKeyDIFOBECMGIDMSU-UHFFFAOYSA-N
XLogP4.38
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 115504443
2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine
CID 114734080
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
2-(3-bromobutan-2-yl)-7-chloro-1-benzofuran
CID 114732847
2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol
CID 114724129
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
CID 114734336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine (CID 114734361) is 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(-c2cc3cccc(Cl)c3o2)n1.
What is the InChIKey of 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is DIFOBECMGIDMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-7(2)20-14-18-12(17-13(16)19-14)10-6-8-4-3-5-9(15)11(8)21-10/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 324.17 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 114734361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).