benzyl-(3-tert-butyl-2-pyridinyl)phosphane

C16H20NP — CID 175437355

IUPACbenzyl-(3-tert-butyl-2-pyridinyl)phosphane
SMILESCC(C)(C)c1cccnc1PCc1ccccc1
InChIInChI=1S/C16H20NP/c1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13/h4-11,18H,12H2,1-3H3
InChIKeyPQYHZTWJYWSJDD-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.88
Rot. Bonds3

About benzyl-(3-tert-butyl-2-pyridinyl)phosphane

benzyl-(3-tert-butyl-2-pyridinyl)phosphane (PubChem CID 175437355) has the molecular formula C16H20NP and a molecular weight of 257.32 g/mol. Its IUPAC name is benzyl-(3-tert-butyl-2-pyridinyl)phosphane.

Molecular Properties

Compound Namebenzyl-(3-tert-butyl-2-pyridinyl)phosphane
PubChem CID175437355
Molecular FormulaC16H20NP
Molecular Weight257.32 g/mol
Exact Mass257.13
IUPAC Namebenzyl-(3-tert-butyl-2-pyridinyl)phosphane
SMILESCC(C)(C)c1cccnc1PCc1ccccc1
InChIInChI=1S/C16H20NP/c1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13/h4-11,18H,12H2,1-3H3
InChIKeyPQYHZTWJYWSJDD-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-(3-tert-butyl-2-pyridinyl)phosphane?
The IUPAC name of benzyl-(3-tert-butyl-2-pyridinyl)phosphane (CID 175437355) is benzyl-(3-tert-butyl-2-pyridinyl)phosphane.
What is the SMILES notation for benzyl-(3-tert-butyl-2-pyridinyl)phosphane?
The canonical SMILES for benzyl-(3-tert-butyl-2-pyridinyl)phosphane is CC(C)(C)c1cccnc1PCc1ccccc1.
What is the InChIKey of benzyl-(3-tert-butyl-2-pyridinyl)phosphane?
The InChIKey is PQYHZTWJYWSJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NP/c1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13/h4-11,18H,12H2,1-3H3.
What are the key properties of benzyl-(3-tert-butyl-2-pyridinyl)phosphane?
benzyl-(3-tert-butyl-2-pyridinyl)phosphane has a molecular weight of 257.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(3-tert-butyl-2-pyridinyl)phosphane is sourced from PubChem (CID 175437355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).