ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate

C16H15N3O3 — CID 102097625

IUPACethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
SMILESCCOC(=O)c1ccccc1-n1nnc2cc(OC)ccc21
InChIInChI=1S/C16H15N3O3/c1-3-22-16(20)12-6-4-5-7-14(12)19-15-9-8-11(21-2)10-13(15)17-18-19/h4-10H,3H2,1-2H3
InChIKeyYFJVFJVDYFPQIL-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.61
Rot. Bonds4

About ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate

ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate (PubChem CID 102097625) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
PubChem CID102097625
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
SMILESCCOC(=O)c1ccccc1-n1nnc2cc(OC)ccc21
InChIInChI=1S/C16H15N3O3/c1-3-22-16(20)12-6-4-5-7-14(12)19-15-9-8-11(21-2)10-13(15)17-18-19/h4-10H,3H2,1-2H3
InChIKeyYFJVFJVDYFPQIL-UHFFFAOYSA-N
XLogP2.61
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate?
The IUPAC name of ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate (CID 102097625) is ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate.
What is the SMILES notation for ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate?
The canonical SMILES for ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate is CCOC(=O)c1ccccc1-n1nnc2cc(OC)ccc21.
What is the InChIKey of ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate?
The InChIKey is YFJVFJVDYFPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-22-16(20)12-6-4-5-7-14(12)19-15-9-8-11(21-2)10-13(15)17-18-19/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate?
ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate has a molecular weight of 297.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate is sourced from PubChem (CID 102097625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).