2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid

C18H14FN3O5 — CID 56695194

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid
SMILESCOc1nc(OC)nc(Oc2cccc(-c3ccc(F)cc3)c2C(=O)O)n1
InChIInChI=1S/C18H14FN3O5/c1-25-16-20-17(26-2)22-18(21-16)27-13-5-3-4-12(14(13)15(23)24)10-6-8-11(19)9-7-10/h3-9H,1-2H3,(H,23,24)
InChIKeyGZSWOBQMWQYUFR-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.19
Rot. Bonds6

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid (PubChem CID 56695194) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid
PubChem CID56695194
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid
SMILESCOc1nc(OC)nc(Oc2cccc(-c3ccc(F)cc3)c2C(=O)O)n1
InChIInChI=1S/C18H14FN3O5/c1-25-16-20-17(26-2)22-18(21-16)27-13-5-3-4-12(14(13)15(23)24)10-6-8-11(19)9-7-10/h3-9H,1-2H3,(H,23,24)
InChIKeyGZSWOBQMWQYUFR-UHFFFAOYSA-N
XLogP3.19
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid (CID 56695194) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid is COc1nc(OC)nc(Oc2cccc(-c3ccc(F)cc3)c2C(=O)O)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid?
The InChIKey is GZSWOBQMWQYUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c1-25-16-20-17(26-2)22-18(21-16)27-13-5-3-4-12(14(13)15(23)24)10-6-8-11(19)9-7-10/h3-9H,1-2H3,(H,23,24).
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid has a molecular weight of 371.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid is sourced from PubChem (CID 56695194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).