2-(benzotriazol-2-yl)-4-phosphanylphenol

C12H10N3OP — CID 175937405

IUPAC2-(benzotriazol-2-yl)-4-phosphanylphenol
SMILESOc1ccc(P)cc1-n1nc2ccccc2n1
InChIInChI=1S/C12H10N3OP/c16-12-6-5-8(17)7-11(12)15-13-9-3-1-2-4-10(9)14-15/h1-7,16H,17H2
InChIKeyWGZDTEBIXJBWQA-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.63
Rot. Bonds1

About 2-(benzotriazol-2-yl)-4-phosphanylphenol

2-(benzotriazol-2-yl)-4-phosphanylphenol (PubChem CID 175937405) has the molecular formula C12H10N3OP and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-phosphanylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-phosphanylphenol
PubChem CID175937405
Molecular FormulaC12H10N3OP
Molecular Weight243.21 g/mol
Exact Mass243.06
IUPAC Name2-(benzotriazol-2-yl)-4-phosphanylphenol
SMILESOc1ccc(P)cc1-n1nc2ccccc2n1
InChIInChI=1S/C12H10N3OP/c16-12-6-5-8(17)7-11(12)15-13-9-3-1-2-4-10(9)14-15/h1-7,16H,17H2
InChIKeyWGZDTEBIXJBWQA-UHFFFAOYSA-N
XLogP1.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 20596233
2-(benzotriazol-2-yl)-4-methylphenol;ethane
CID 91212938
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
2-(benzotriazol-2-yl)-4-prop-1-enylphenol
CID 172745100
4-(aminomethyl)-2-(benzotriazol-2-yl)phenol;2H-benzotriazole
CID 174354658
[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methanesulfonic acid
CID 139877706
2-(benzotriazol-2-yl)-5-sulfanylphenol
CID 23459194
CID 18720529
CID 18720529
2-(benzotriazol-2-yl)-4-[2,2,6,6-tetramethyl-3,5-di(propan-2-yl)heptan-4-yl]phenol
CID 135326392
N-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]prop-2-enamide
CID 139745783
2-(benzotriazol-2-yl)-4-buta-1,3-diynoxyphenol
CID 135193692
1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone
CID 102011466

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-phosphanylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-phosphanylphenol (CID 175937405) is 2-(benzotriazol-2-yl)-4-phosphanylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-phosphanylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-phosphanylphenol is Oc1ccc(P)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-phosphanylphenol?
The InChIKey is WGZDTEBIXJBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N3OP/c16-12-6-5-8(17)7-11(12)15-13-9-3-1-2-4-10(9)14-15/h1-7,16H,17H2.
What are the key properties of 2-(benzotriazol-2-yl)-4-phosphanylphenol?
2-(benzotriazol-2-yl)-4-phosphanylphenol has a molecular weight of 243.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-phosphanylphenol is sourced from PubChem (CID 175937405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).