methyl 4-(benzotriazol-1-yloxymethyl)benzoate

C15H13N3O3 — CID 2480174

IUPACmethyl 4-(benzotriazol-1-yloxymethyl)benzoate
SMILESCOC(=O)c1ccc(COn2nnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O3/c1-20-15(19)12-8-6-11(7-9-12)10-21-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
InChIKeyYOGMGEYECKSKEB-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.85
Rot. Bonds4

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

methyl 4-(benzotriazol-1-yloxymethyl)benzoate (PubChem CID 2480174) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 4-(benzotriazol-1-yloxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(benzotriazol-1-yloxymethyl)benzoate
PubChem CID2480174
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 4-(benzotriazol-1-yloxymethyl)benzoate
SMILESCOC(=O)c1ccc(COn2nnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O3/c1-20-15(19)12-8-6-11(7-9-12)10-21-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
InChIKeyYOGMGEYECKSKEB-UHFFFAOYSA-N
XLogP1.85
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-(benzotriazol-1-yloxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzotriazol-1-yl 2-aminobenzoate
CID 15959235
1-(Benzoyloxy)-1H-1,2,3-benzotriazole
CID 555244
1H-Benzotriazol-1-yl 4-methoxybenzoate
CID 20655275
methyl 1H-1,2,3-benzotriazole-5-carboxylate
CID 6409672
(6-Methoxybenzotriazol-1-yl) benzoate
CID 51041598
methyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate
CID 2823339
methyl 1H-1,2,3-benzotriazole-4-carboxylate
CID 14534406
2-(Benzotriazol-2-yl)-3-(4-carboxyphenyl)-acrylonitrile
CID 6474815
4-[(E)-2-(benzotriazol-2-yl)-2-cyanoethenyl]benzoic acid
CID 6531024
1H-1,2,3-Benzotriazol-1-ylmethyl benzoate
CID 3733202
methyl 4-[(E)-3-(benzotriazol-1-yl)-3-oxoprop-1-enyl]benzoate
CID 25023513
butyl 3H-benzotriazole-5-carboxylate
CID 60086978

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzotriazol-1-yloxymethyl)benzoate?
The IUPAC name of methyl 4-(benzotriazol-1-yloxymethyl)benzoate (CID 2480174) is methyl 4-(benzotriazol-1-yloxymethyl)benzoate.
What is the SMILES notation for methyl 4-(benzotriazol-1-yloxymethyl)benzoate?
The canonical SMILES for methyl 4-(benzotriazol-1-yloxymethyl)benzoate is COC(=O)c1ccc(COn2nnc3ccccc32)cc1.
What is the InChIKey of methyl 4-(benzotriazol-1-yloxymethyl)benzoate?
The InChIKey is YOGMGEYECKSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-15(19)12-8-6-11(7-9-12)10-21-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3.
What are the key properties of methyl 4-(benzotriazol-1-yloxymethyl)benzoate?
methyl 4-(benzotriazol-1-yloxymethyl)benzoate has a molecular weight of 283.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzotriazol-1-yloxymethyl)benzoate is sourced from PubChem (CID 2480174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).