methyl 4-(benzotriazol-1-ylmethyl)benzoate

C15H13N3O2 — CID 2823339

IUPACmethyl 4-(benzotriazol-1-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
InChIKeyHSLJIOGNIIZZOF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.27
Rot. Bonds3

About methyl 4-(benzotriazol-1-ylmethyl)benzoate

methyl 4-(benzotriazol-1-ylmethyl)benzoate (PubChem CID 2823339) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 4-(benzotriazol-1-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(benzotriazol-1-ylmethyl)benzoate
PubChem CID2823339
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 4-(benzotriazol-1-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
InChIKeyHSLJIOGNIIZZOF-UHFFFAOYSA-N
XLogP2.27
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid
CID 2103992
[2-(4-Fluorophenyl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate
CID 3132192
1-Benzyl-3-(4'-ethoxycarbonylphenyl)indazole
CID 10132921
1-Cyclohexyl-1H-benzotriazole-5-carboxylic acid
CID 653819
Benzotriazol-1-YL-acetic acid benzyl ester
CID 854230
Propan-2-yl 4-[(1-ethylbenzotriazole-5-carbonyl)amino]benzoate
CID 9100473
Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 657481
methyl 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzenecarboxylate
CID 1485771
1-pentyl-1H-benzotriazole-5-carboxylic acid
CID 10014206
1-Butyl-1,2,3-benzotriazole-5-carboxylic acid
CID 10331019
Ethyl 4-[1-[(2-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 23120782
Ethyl 4-(1-ethylindazol-3-yl)benzoate
CID 44451602

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzotriazol-1-ylmethyl)benzoate?
The IUPAC name of methyl 4-(benzotriazol-1-ylmethyl)benzoate (CID 2823339) is methyl 4-(benzotriazol-1-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-(benzotriazol-1-ylmethyl)benzoate?
The canonical SMILES for methyl 4-(benzotriazol-1-ylmethyl)benzoate is COC(=O)c1ccc(Cn2nnc3ccccc32)cc1.
What is the InChIKey of methyl 4-(benzotriazol-1-ylmethyl)benzoate?
The InChIKey is HSLJIOGNIIZZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15(19)12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3.
What are the key properties of methyl 4-(benzotriazol-1-ylmethyl)benzoate?
methyl 4-(benzotriazol-1-ylmethyl)benzoate has a molecular weight of 267.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzotriazol-1-ylmethyl)benzoate is sourced from PubChem (CID 2823339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).