1-(2-methoxy-2-phenylethyl)benzotriazole

C15H15N3O — CID 3740185

IUPAC1-(2-methoxy-2-phenylethyl)benzotriazole
SMILESCOC(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-19-15(12-7-3-2-4-8-12)11-18-14-10-6-5-9-13(14)16-17-18/h2-10,15H,11H2,1H3
InChIKeyAUPRNBMUVUSVHO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-methoxy-2-phenylethyl)benzotriazole

1-(2-methoxy-2-phenylethyl)benzotriazole (PubChem CID 3740185) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethyl)benzotriazole.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethyl)benzotriazole
PubChem CID3740185
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(2-methoxy-2-phenylethyl)benzotriazole
SMILESCOC(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C15H15N3O/c1-19-15(12-7-3-2-4-8-12)11-18-14-10-6-5-9-13(14)16-17-18/h2-10,15H,11H2,1H3
InChIKeyAUPRNBMUVUSVHO-UHFFFAOYSA-N
XLogP2.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2,5-dichlorophenyl)methoxy]-2-phenylethyl]benzotriazole
CID 123972162
1-(benzotriazol-1-yl)-N-methoxymethanamine
CID 130251887
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
3-(benzotriazol-1-yl)-2-methylpropan-1-amine
CID 62448363
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
4-(benzotriazol-1-yl)-2-phenylbutanal
CID 91092912
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830
(2S)-1-(benzotriazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 879163
1-(phenoxymethyl)benzotriazole
CID 640750
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethyl)benzotriazole?
The IUPAC name of 1-(2-methoxy-2-phenylethyl)benzotriazole (CID 3740185) is 1-(2-methoxy-2-phenylethyl)benzotriazole.
What is the SMILES notation for 1-(2-methoxy-2-phenylethyl)benzotriazole?
The canonical SMILES for 1-(2-methoxy-2-phenylethyl)benzotriazole is COC(Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylethyl)benzotriazole?
The InChIKey is AUPRNBMUVUSVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-15(12-7-3-2-4-8-12)11-18-14-10-6-5-9-13(14)16-17-18/h2-10,15H,11H2,1H3.
What are the key properties of 1-(2-methoxy-2-phenylethyl)benzotriazole?
1-(2-methoxy-2-phenylethyl)benzotriazole has a molecular weight of 253.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylethyl)benzotriazole is sourced from PubChem (CID 3740185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).