2-[(4-methoxyphenyl)methyl]benzotriazole

C14H13N3O — CID 3828598

IUPAC2-[(4-methoxyphenyl)methyl]benzotriazole
SMILESCOc1ccc(Cn2nc3ccccc3n2)cc1
InChIInChI=1S/C14H13N3O/c1-18-12-8-6-11(7-9-12)10-17-15-13-4-2-3-5-14(13)16-17/h2-9H,10H2,1H3
InChIKeySZUFCRZVPWAKBR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.49
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]benzotriazole

2-[(4-methoxyphenyl)methyl]benzotriazole (PubChem CID 3828598) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]benzotriazole
PubChem CID3828598
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[(4-methoxyphenyl)methyl]benzotriazole
SMILESCOc1ccc(Cn2nc3ccccc3n2)cc1
InChIInChI=1S/C14H13N3O/c1-18-12-8-6-11(7-9-12)10-17-15-13-4-2-3-5-14(13)16-17/h2-9H,10H2,1H3
InChIKeySZUFCRZVPWAKBR-UHFFFAOYSA-N
XLogP2.49
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]benzotriazole 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

4-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline
CID 160646300
2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
CID 127035403
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 154467582
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
CID 18879455
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
5-(3,5-diiodophenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773840
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]benzotriazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]benzotriazole (CID 3828598) is 2-[(4-methoxyphenyl)methyl]benzotriazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]benzotriazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]benzotriazole is COc1ccc(Cn2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]benzotriazole?
The InChIKey is SZUFCRZVPWAKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-12-8-6-11(7-9-12)10-17-15-13-4-2-3-5-14(13)16-17/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]benzotriazole?
2-[(4-methoxyphenyl)methyl]benzotriazole has a molecular weight of 239.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]benzotriazole is sourced from PubChem (CID 3828598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).