[2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate

C28H23N3O4 — CID 126186219

IUPAC[2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate
SMILESCOc1ccccc1OCc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1
InChIInChI=1S/C28H23N3O4/c1-19-11-16-25(24(17-19)31-29-22-7-3-4-8-23(22)30-31)35-28(32)21-14-12-20(13-15-21)18-34-27-10-6-5-9-26(27)33-2/h3-17H,18H2,1-2H3
InChIKeyQSLZXAJEKAEVQQ-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.54
Rot. Bonds7

About [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate

[2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate (PubChem CID 126186219) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate.

Molecular Properties

Compound Name[2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate
PubChem CID126186219
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name[2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate
SMILESCOc1ccccc1OCc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1
InChIInChI=1S/C28H23N3O4/c1-19-11-16-25(24(17-19)31-29-22-7-3-4-8-23(22)30-31)35-28(32)21-14-12-20(13-15-21)18-34-27-10-6-5-9-26(27)33-2/h3-17H,18H2,1-2H3
InChIKeyQSLZXAJEKAEVQQ-UHFFFAOYSA-N
XLogP5.54
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate with MolForge

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Related Compounds

[2-(benzotriazol-2-yl)-4-methylphenyl] pyridine-4-carboxylate
CID 872291
[2-(benzotriazol-2-yl)-5-methylphenyl] benzoate
CID 23991142
(3-acetylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126184010
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
CID 91962428
(4-bromophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126187152
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426
[4-methyl-2-(4-phenylmethoxybenzoyl)oxyphenyl] 4-phenylmethoxybenzoate
CID 58741237
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
1-[[2-[2-(benzotriazol-2-yl)-4-methylphenoxy]acetyl]amino]-3-methylthiourea
CID 5298641
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate
CID 9023669
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183

Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate?
The IUPAC name of [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate (CID 126186219) is [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate.
What is the SMILES notation for [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate?
The canonical SMILES for [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate is COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1.
What is the InChIKey of [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate?
The InChIKey is QSLZXAJEKAEVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c1-19-11-16-25(24(17-19)31-29-22-7-3-4-8-23(22)30-31)35-28(32)21-14-12-20(13-15-21)18-34-27-10-6-5-9-26(27)33-2/h3-17H,18H2,1-2H3.
What are the key properties of [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate?
[2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate has a molecular weight of 465.51 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-2-yl)-4-methylphenyl] 4-[(2-methoxyphenoxy)methyl]benzoate is sourced from PubChem (CID 126186219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).