bromo-methyl-triphenyl-lambda5-phosphane

C19H18BrP — CID 621706

IUPACbromo-methyl-triphenyl-lambda5-phosphane
SMILESCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18BrP/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyBKRKYEFQSANYGA-UHFFFAOYSA-N
MW357.23 g/mol
LogP4.46
Rot. Bonds3

About bromo-methyl-triphenyl-lambda5-phosphane

bromo-methyl-triphenyl-lambda5-phosphane (PubChem CID 621706) has the molecular formula C19H18BrP and a molecular weight of 357.23 g/mol. Its IUPAC name is bromo-methyl-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-methyl-triphenyl-lambda5-phosphane
PubChem CID621706
Molecular FormulaC19H18BrP
Molecular Weight357.23 g/mol
Exact Mass356.03
IUPAC Namebromo-methyl-triphenyl-lambda5-phosphane
SMILESCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18BrP/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyBKRKYEFQSANYGA-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 54.46
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 bromo-methyl-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-methyl-triphenyl-lambda5-phosphane (CID 621706) is bromo-methyl-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-methyl-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-methyl-triphenyl-lambda5-phosphane is CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-methyl-triphenyl-lambda5-phosphane?
The InChIKey is BKRKYEFQSANYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrP/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3.
What are the key properties of bromo-methyl-triphenyl-lambda5-phosphane?
bromo-methyl-triphenyl-lambda5-phosphane has a molecular weight of 357.23 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-methyl-triphenyl-lambda5-phosphane is sourced from PubChem (CID 621706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).