benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane

C14H24BrP — CID 12839512

IUPACbenzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane
SMILESCC(C)P(C)(Br)(Cc1ccccc1)C(C)C
InChIInChI=1S/C14H24BrP/c1-12(2)16(5,15,13(3)4)11-14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3
InChIKeyQFIAZHSXZOZOOC-UHFFFAOYSA-N
MW303.22 g/mol
LogP5.50
Rot. Bonds4

About benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane

benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane (PubChem CID 12839512) has the molecular formula C14H24BrP and a molecular weight of 303.22 g/mol. Its IUPAC name is benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane.

Molecular Properties

Compound Namebenzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane
PubChem CID12839512
Molecular FormulaC14H24BrP
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Namebenzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane
SMILESCC(C)P(C)(Br)(Cc1ccccc1)C(C)C
InChIInChI=1S/C14H24BrP/c1-12(2)16(5,15,13(3)4)11-14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3
InChIKeyQFIAZHSXZOZOOC-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.22
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-methyl-di(propan-2-yl)-lambda5-phosphane?
The IUPAC name of benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane (CID 12839512) is benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane.
What is the SMILES notation for benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane?
The canonical SMILES for benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane is CC(C)P(C)(Br)(Cc1ccccc1)C(C)C.
What is the InChIKey of benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane?
The InChIKey is QFIAZHSXZOZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrP/c1-12(2)16(5,15,13(3)4)11-14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3.
What are the key properties of benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane?
benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane has a molecular weight of 303.22 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bromo-methyl-di(propan-2-yl)-lambda5-phosphane is sourced from PubChem (CID 12839512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).