2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid

C17H11Cl2N3O4 — CID 134122311

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid
SMILESCOc1nc(Cl)nc(Oc2cccc(-c3ccc(Cl)cc3)c2C(=O)O)n1
InChIInChI=1S/C17H11Cl2N3O4/c1-25-16-20-15(19)21-17(22-16)26-12-4-2-3-11(13(12)14(23)24)9-5-7-10(18)8-6-9/h2-8H,1H3,(H,23,24)
InChIKeyUGYWNSRLEAGVTH-UHFFFAOYSA-N
MW392.20 g/mol
LogP4.34
Rot. Bonds5

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid (PubChem CID 134122311) has the molecular formula C17H11Cl2N3O4 and a molecular weight of 392.20 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid
PubChem CID134122311
Molecular FormulaC17H11Cl2N3O4
Molecular Weight392.20 g/mol
Exact Mass391.01
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid
SMILESCOc1nc(Cl)nc(Oc2cccc(-c3ccc(Cl)cc3)c2C(=O)O)n1
InChIInChI=1S/C17H11Cl2N3O4/c1-25-16-20-15(19)21-17(22-16)26-12-4-2-3-11(13(12)14(23)24)9-5-7-10(18)8-6-9/h2-8H,1H3,(H,23,24)
InChIKeyUGYWNSRLEAGVTH-UHFFFAOYSA-N
XLogP4.34
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 14880647
2-(5-cyano-4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 134110522
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzenecarbothioic S-acid
CID 19901305
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid
CID 62857687
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(6-methyl-2-pyridinyl)benzoic acid
CID 19050637
2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide
CID 19876585
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901
2-(4-chlorophenoxy)-6-methylbenzoic acid
CID 53418754
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde
CID 19778876
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid (CID 134122311) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid is COc1nc(Cl)nc(Oc2cccc(-c3ccc(Cl)cc3)c2C(=O)O)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid?
The InChIKey is UGYWNSRLEAGVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O4/c1-25-16-20-15(19)21-17(22-16)26-12-4-2-3-11(13(12)14(23)24)9-5-7-10(18)8-6-9/h2-8H,1H3,(H,23,24).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid has a molecular weight of 392.20 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid is sourced from PubChem (CID 134122311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).