[2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid

C20H18N3O2P — CID 150146575

IUPAC[2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid
SMILESCc1ccccc1P(=O)(O)c1c(C)cccc1-n1nnc2ccccc21
InChIInChI=1S/C20H18N3O2P/c1-14-8-3-6-13-19(14)26(24,25)20-15(2)9-7-12-18(20)23-17-11-5-4-10-16(17)21-22-23/h3-13H,1-2H3,(H,24,25)
InChIKeyFEJMISXDHWCWDE-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.26
Rot. Bonds3

About [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid

[2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid (PubChem CID 150146575) has the molecular formula C20H18N3O2P and a molecular weight of 363.36 g/mol. Its IUPAC name is [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid.

Molecular Properties

Compound Name[2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid
PubChem CID150146575
Molecular FormulaC20H18N3O2P
Molecular Weight363.36 g/mol
Exact Mass363.11
IUPAC Name[2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid
SMILESCc1ccccc1P(=O)(O)c1c(C)cccc1-n1nnc2ccccc21
InChIInChI=1S/C20H18N3O2P/c1-14-8-3-6-13-19(14)26(24,25)20-15(2)9-7-12-18(20)23-17-11-5-4-10-16(17)21-22-23/h3-13H,1-2H3,(H,24,25)
InChIKeyFEJMISXDHWCWDE-UHFFFAOYSA-N
XLogP3.26
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid?
The IUPAC name of [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid (CID 150146575) is [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid.
What is the SMILES notation for [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid?
The canonical SMILES for [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid is Cc1ccccc1P(=O)(O)c1c(C)cccc1-n1nnc2ccccc21.
What is the InChIKey of [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid?
The InChIKey is FEJMISXDHWCWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N3O2P/c1-14-8-3-6-13-19(14)26(24,25)20-15(2)9-7-12-18(20)23-17-11-5-4-10-16(17)21-22-23/h3-13H,1-2H3,(H,24,25).
What are the key properties of [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid?
[2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid has a molecular weight of 363.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-1-yl)-6-methylphenyl]-(2-methylphenyl)phosphinic acid is sourced from PubChem (CID 150146575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).