4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol

C12H12ClN3O3 — CID 143041909

IUPAC4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(Cc2nnnc(OC)c2Cl)ccc1O
InChIInChI=1S/C12H12ClN3O3/c1-18-10-6-7(3-4-9(10)17)5-8-11(13)12(19-2)15-16-14-8/h3-4,6,17H,5H2,1-2H3
InChIKeyZXAAAPGXKLJGBY-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.84
Rot. Bonds4

About 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol

4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol (PubChem CID 143041909) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol
PubChem CID143041909
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(Cc2nnnc(OC)c2Cl)ccc1O
InChIInChI=1S/C12H12ClN3O3/c1-18-10-6-7(3-4-9(10)17)5-8-11(13)12(19-2)15-16-14-8/h3-4,6,17H,5H2,1-2H3
InChIKeyZXAAAPGXKLJGBY-UHFFFAOYSA-N
XLogP1.84
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenyl)methyl]-2-methoxyphenol
CID 174578571
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol
CID 150058857
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
2-methoxy-4-(thiophen-3-ylmethyl)phenol
CID 175997325
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol (CID 143041909) is 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol is COc1cc(Cc2nnnc(OC)c2Cl)ccc1O.
What is the InChIKey of 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol?
The InChIKey is ZXAAAPGXKLJGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-18-10-6-7(3-4-9(10)17)5-8-11(13)12(19-2)15-16-14-8/h3-4,6,17H,5H2,1-2H3.
What are the key properties of 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol?
4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol has a molecular weight of 281.70 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 143041909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).