[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane

C13H12N3P — CID 170034052

IUPAC[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane
SMILESCc1ccc(P)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C13H12N3P/c1-9-6-7-13(17)12(8-9)16-11-5-3-2-4-10(11)14-15-16/h2-8H,17H2,1H3
InChIKeyHYNQDOLCJMWQJU-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.23
Rot. Bonds1

About [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane

[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane (PubChem CID 170034052) has the molecular formula C13H12N3P and a molecular weight of 241.23 g/mol. Its IUPAC name is [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane.

Molecular Properties

Compound Name[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane
PubChem CID170034052
Molecular FormulaC13H12N3P
Molecular Weight241.23 g/mol
Exact Mass241.08
IUPAC Name[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane
SMILESCc1ccc(P)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C13H12N3P/c1-9-6-7-13(17)12(8-9)16-11-5-3-2-4-10(11)14-15-16/h2-8H,17H2,1H3
InChIKeyHYNQDOLCJMWQJU-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
CID 114016678
1-[2-(bromomethyl)-4-methylphenyl]benzotriazole
CID 114054750
3-(benzotriazol-1-yl)-2,5-dimethylaniline
CID 175638112
1-(2-methoxyphenyl)benzotriazole
CID 53415460
4-(benzotriazol-1-yl)benzene-1,3-diol
CID 19816499
1-[5-(chloromethyl)-2-methylphenyl]benzotriazole
CID 105405922
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740
1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
(1S)-1-[2-(benzotriazol-1-yl)phenyl]ethanamine
CID 29082017
4-(benzotriazol-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053311
1-[4-[4-(benzotriazol-1-yl)-2,5-dipropylphenyl]-2,5-dipropylphenyl]benzotriazole
CID 59246688
2-(benzotriazol-1-yl)-4,5-dimethoxybenzaldehyde
CID 155936683

Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane?
The IUPAC name of [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane (CID 170034052) is [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane.
What is the SMILES notation for [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane?
The canonical SMILES for [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane is Cc1ccc(P)c(-n2nnc3ccccc32)c1.
What is the InChIKey of [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane?
The InChIKey is HYNQDOLCJMWQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N3P/c1-9-6-7-13(17)12(8-9)16-11-5-3-2-4-10(11)14-15-16/h2-8H,17H2,1H3.
What are the key properties of [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane?
[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane has a molecular weight of 241.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-1-yl)-4-methylphenyl]phosphane is sourced from PubChem (CID 170034052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).