benzotriazol-1-yl 4-methoxybenzoate

C14H11N3O3 — CID 20655275

IUPACbenzotriazol-1-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)On2nnc3ccccc32)cc1
InChIInChI=1S/C14H11N3O3/c1-19-11-8-6-10(7-9-11)14(18)20-17-13-5-3-2-4-12(13)15-16-17/h2-9H,1H3
InChIKeyUMBUOKQSWOYZAB-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.71
Rot. Bonds3

About benzotriazol-1-yl 4-methoxybenzoate

benzotriazol-1-yl 4-methoxybenzoate (PubChem CID 20655275) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is benzotriazol-1-yl 4-methoxybenzoate.

Molecular Properties

Compound Namebenzotriazol-1-yl 4-methoxybenzoate
PubChem CID20655275
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Namebenzotriazol-1-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)On2nnc3ccccc32)cc1
InChIInChI=1S/C14H11N3O3/c1-19-11-8-6-10(7-9-11)14(18)20-17-13-5-3-2-4-12(13)15-16-17/h2-9H,1H3
InChIKeyUMBUOKQSWOYZAB-UHFFFAOYSA-N
XLogP1.71
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

Analyze benzotriazol-1-yl 4-methoxybenzoate 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

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-one O-(4-methoxybenzoyl)oxime
CID 6292772
Benzotriazol-1-yl 3,4,5-trimethoxybenzoate
CID 50898980
(6-Methoxybenzotriazol-1-yl) 3,5-dimethoxybenzoate
CID 50898982
Methyl 4-(benzotriazol-1-yloxymethyl)benzoate
CID 2480174
Benzotriazol-1-yl 3,5-dimethoxybenzoate
CID 50898981
(6-Methoxybenzotriazol-1-yl) 3,4,5-trimethoxybenzoate
CID 50898983
(6-Methoxybenzotriazol-1-yl) benzoate
CID 51041598
(6-Methoxybenzotriazol-1-yl) 4-hydroxybenzoate
CID 51041599
(6-Methoxybenzotriazol-1-yl) 4-methoxybenzoate
CID 52942523
Benzotriazol-1-yl 4-hydroxybenzoate
CID 52945620
(E)-1-(4-methoxyphenyl)-3-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)prop-2-en-1-one
CID 44614308

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl 4-methoxybenzoate?
The IUPAC name of benzotriazol-1-yl 4-methoxybenzoate (CID 20655275) is benzotriazol-1-yl 4-methoxybenzoate.
What is the SMILES notation for benzotriazol-1-yl 4-methoxybenzoate?
The canonical SMILES for benzotriazol-1-yl 4-methoxybenzoate is COc1ccc(C(=O)On2nnc3ccccc32)cc1.
What is the InChIKey of benzotriazol-1-yl 4-methoxybenzoate?
The InChIKey is UMBUOKQSWOYZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-19-11-8-6-10(7-9-11)14(18)20-17-13-5-3-2-4-12(13)15-16-17/h2-9H,1H3.
What are the key properties of benzotriazol-1-yl 4-methoxybenzoate?
benzotriazol-1-yl 4-methoxybenzoate has a molecular weight of 269.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl 4-methoxybenzoate is sourced from PubChem (CID 20655275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).