4-[(2-chlorophenoxy)methyl]-1-methyltriazole

C10H10ClN3O — CID 103866170

IUPAC4-[(2-chlorophenoxy)methyl]-1-methyltriazole
SMILESCn1cc(COc2ccccc2Cl)nn1
InChIInChI=1S/C10H10ClN3O/c1-14-6-8(12-13-14)7-15-10-5-3-2-4-9(10)11/h2-6H,7H2,1H3
InChIKeyHGESSOQMLAUUPJ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.05
Rot. Bonds3

About 4-[(2-chlorophenoxy)methyl]-1-methyltriazole

4-[(2-chlorophenoxy)methyl]-1-methyltriazole (PubChem CID 103866170) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-1-methyltriazole
PubChem CID103866170
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-[(2-chlorophenoxy)methyl]-1-methyltriazole
SMILESCn1cc(COc2ccccc2Cl)nn1
InChIInChI=1S/C10H10ClN3O/c1-14-6-8(12-13-14)7-15-10-5-3-2-4-9(10)11/h2-6H,7H2,1H3
InChIKeyHGESSOQMLAUUPJ-UHFFFAOYSA-N
XLogP2.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
CID 3065713
2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107713246
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260
(E)-3-[3-chloro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 107044178
[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207921
(1S)-1-[5-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043853
N-[[3-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107041620
3-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 107051631

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-1-methyltriazole?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-1-methyltriazole (CID 103866170) is 4-[(2-chlorophenoxy)methyl]-1-methyltriazole.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-1-methyltriazole?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-1-methyltriazole is Cn1cc(COc2ccccc2Cl)nn1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-1-methyltriazole?
The InChIKey is HGESSOQMLAUUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14-6-8(12-13-14)7-15-10-5-3-2-4-9(10)11/h2-6H,7H2,1H3.
What are the key properties of 4-[(2-chlorophenoxy)methyl]-1-methyltriazole?
4-[(2-chlorophenoxy)methyl]-1-methyltriazole has a molecular weight of 223.66 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-1-methyltriazole is sourced from PubChem (CID 103866170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).