1-(2-ethyl-3-methylphenyl)benzotriazole

C15H15N3 — CID 167170064

IUPAC1-(2-ethyl-3-methylphenyl)benzotriazole
SMILESCCc1c(C)cccc1-n1nnc2ccccc21
InChIInChI=1S/C15H15N3/c1-3-12-11(2)7-6-10-14(12)18-15-9-5-4-8-13(15)16-17-18/h4-10H,3H2,1-2H3
InChIKeyCNKXCWXJTNWNFI-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.29
Rot. Bonds2

About 1-(2-ethyl-3-methylphenyl)benzotriazole

1-(2-ethyl-3-methylphenyl)benzotriazole (PubChem CID 167170064) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2-ethyl-3-methylphenyl)benzotriazole.

Molecular Properties

Compound Name1-(2-ethyl-3-methylphenyl)benzotriazole
PubChem CID167170064
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-(2-ethyl-3-methylphenyl)benzotriazole
SMILESCCc1c(C)cccc1-n1nnc2ccccc21
InChIInChI=1S/C15H15N3/c1-3-12-11(2)7-6-10-14(12)18-15-9-5-4-8-13(15)16-17-18/h4-10H,3H2,1-2H3
InChIKeyCNKXCWXJTNWNFI-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740
[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol
CID 114065329
[2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid
CID 150146575
6-(benzotriazol-1-yl)-2,3-dibutylphenol
CID 22931522
ethyl 2-amino-3-(benzotriazol-1-yl)benzoate
CID 115546749
1-(2-methoxyphenyl)benzotriazole
CID 53415460
1-[5-(chloromethyl)-2-methylphenyl]benzotriazole
CID 105405922
(1S)-1-[2-(benzotriazol-1-yl)phenyl]ethanamine
CID 29082017
4-(benzotriazol-1-yl)benzene-1,3-diol
CID 19816499
1-[4-[4-(benzotriazol-1-yl)-2,5-dipropylphenyl]-2,5-dipropylphenyl]benzotriazole
CID 59246688
[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
CID 114016678
1-[2-(bromomethyl)-4-methylphenyl]benzotriazole
CID 114054750

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-methylphenyl)benzotriazole?
The IUPAC name of 1-(2-ethyl-3-methylphenyl)benzotriazole (CID 167170064) is 1-(2-ethyl-3-methylphenyl)benzotriazole.
What is the SMILES notation for 1-(2-ethyl-3-methylphenyl)benzotriazole?
The canonical SMILES for 1-(2-ethyl-3-methylphenyl)benzotriazole is CCc1c(C)cccc1-n1nnc2ccccc21.
What is the InChIKey of 1-(2-ethyl-3-methylphenyl)benzotriazole?
The InChIKey is CNKXCWXJTNWNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-12-11(2)7-6-10-14(12)18-15-9-5-4-8-13(15)16-17-18/h4-10H,3H2,1-2H3.
What are the key properties of 1-(2-ethyl-3-methylphenyl)benzotriazole?
1-(2-ethyl-3-methylphenyl)benzotriazole has a molecular weight of 237.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-methylphenyl)benzotriazole is sourced from PubChem (CID 167170064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).