2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine

C10H8ClN3O2 — CID 608688

IUPAC2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Oc2ccccc2)n1
InChIInChI=1S/C10H8ClN3O2/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyBEFZTDISUQQAPO-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine

2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine (PubChem CID 608688) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine
PubChem CID608688
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Oc2ccccc2)n1
InChIInChI=1S/C10H8ClN3O2/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyBEFZTDISUQQAPO-UHFFFAOYSA-N
XLogP2.33
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine (CID 608688) is 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine is COc1nc(Cl)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine?
The InChIKey is BEFZTDISUQQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine?
2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine has a molecular weight of 237.65 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-phenoxy-1,3,5-triazine is sourced from PubChem (CID 608688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).