5-[(2-methylphenoxy)methyl]-2H-benzotriazole

C14H13N3O — CID 86290989

IUPAC5-[(2-methylphenoxy)methyl]-2H-benzotriazole
SMILESCc1ccccc1OCc1ccc2n[nH]nc2c1
InChIInChI=1S/C14H13N3O/c1-10-4-2-3-5-14(10)18-9-11-6-7-12-13(8-11)16-17-15-12/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyKNEMKBINZZNQRK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.85
Rot. Bonds3

About 5-[(2-methylphenoxy)methyl]-2H-benzotriazole

5-[(2-methylphenoxy)methyl]-2H-benzotriazole (PubChem CID 86290989) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-2H-benzotriazole.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-2H-benzotriazole
PubChem CID86290989
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-[(2-methylphenoxy)methyl]-2H-benzotriazole
SMILESCc1ccccc1OCc1ccc2n[nH]nc2c1
InChIInChI=1S/C14H13N3O/c1-10-4-2-3-5-14(10)18-9-11-6-7-12-13(8-11)16-17-15-12/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyKNEMKBINZZNQRK-UHFFFAOYSA-N
XLogP2.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Ethoxyphenyl)-6-methyl-2H-benzotriazol-5-amine
CID 675395
2-(2-ethoxy-5-methylphenyl)-2H-benzotriazole
CID 717829
2-(2-Methoxy-5-methylphenyl)benzotriazole
CID 576258
2-[2-(2,4-dimethylphenoxy)ethyl]-2H-1,2,3-benzotriazole
CID 803812
2-(4-Methoxyphenyl)-5-(trifluoromethyl)benzotriazole
CID 127035090
2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
CID 127035403
2(3-Ethyl-4-acetoxyphenyl)2h benzotriazole
CID 102011487
5-(2-Methoxyphenyl)-2,1,3-benzothiadiazole
CID 58838897
2-[(Z)-[2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methoxy]phenyl]methylideneamino]guanidine
CID 118717909
2-[(Z)-1-[2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methoxy]phenyl]ethylideneamino]guanidine
CID 118717929
1H-Benzotriazole, 5-(pentyloxy)-
CID 19755975
5-[4-(difluoromethyl)-2,3-difluorophenoxy]-2H-benzotriazole
CID 67665794

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-2H-benzotriazole?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-2H-benzotriazole (CID 86290989) is 5-[(2-methylphenoxy)methyl]-2H-benzotriazole.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-2H-benzotriazole?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-2H-benzotriazole is Cc1ccccc1OCc1ccc2n[nH]nc2c1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-2H-benzotriazole?
The InChIKey is KNEMKBINZZNQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-4-2-3-5-14(10)18-9-11-6-7-12-13(8-11)16-17-15-12/h2-8H,9H2,1H3,(H,15,16,17).
What are the key properties of 5-[(2-methylphenoxy)methyl]-2H-benzotriazole?
5-[(2-methylphenoxy)methyl]-2H-benzotriazole has a molecular weight of 239.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-2H-benzotriazole is sourced from PubChem (CID 86290989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).