[2-(bromomethyl)phenyl]-diphenylphosphane

C19H16BrP — CID 22914207

IUPAC[2-(bromomethyl)phenyl]-diphenylphosphane
SMILESBrCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16BrP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyPQSKJWPVVPZRCW-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.34
Rot. Bonds4

About [2-(bromomethyl)phenyl]-diphenylphosphane

[2-(bromomethyl)phenyl]-diphenylphosphane (PubChem CID 22914207) has the molecular formula C19H16BrP and a molecular weight of 355.22 g/mol. Its IUPAC name is [2-(bromomethyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(bromomethyl)phenyl]-diphenylphosphane
PubChem CID22914207
Molecular FormulaC19H16BrP
Molecular Weight355.22 g/mol
Exact Mass354.02
IUPAC Name[2-(bromomethyl)phenyl]-diphenylphosphane
SMILESBrCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16BrP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyPQSKJWPVVPZRCW-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(bromomethyl)phenyl]-diphenylphosphane (CID 22914207) is [2-(bromomethyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(bromomethyl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(bromomethyl)phenyl]-diphenylphosphane is BrCc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(bromomethyl)phenyl]-diphenylphosphane?
The InChIKey is PQSKJWPVVPZRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2.
What are the key properties of [2-(bromomethyl)phenyl]-diphenylphosphane?
[2-(bromomethyl)phenyl]-diphenylphosphane has a molecular weight of 355.22 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 22914207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).