(2-bromophenyl)-diethylphosphane

C10H14BrP — CID 15265671

IUPAC(2-bromophenyl)-diethylphosphane
SMILESCCP(CC)c1ccccc1Br
InChIInChI=1S/C10H14BrP/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKeyBVTRVXGWNOAGEM-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.60
Rot. Bonds3

About (2-bromophenyl)-diethylphosphane

(2-bromophenyl)-diethylphosphane (PubChem CID 15265671) has the molecular formula C10H14BrP and a molecular weight of 245.10 g/mol. Its IUPAC name is (2-bromophenyl)-diethylphosphane.

Molecular Properties

Compound Name(2-bromophenyl)-diethylphosphane
PubChem CID15265671
Molecular FormulaC10H14BrP
Molecular Weight245.10 g/mol
Exact Mass244.00
IUPAC Name(2-bromophenyl)-diethylphosphane
SMILESCCP(CC)c1ccccc1Br
InChIInChI=1S/C10H14BrP/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKeyBVTRVXGWNOAGEM-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.60
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 (2-bromophenyl)-diethylphosphane?
The IUPAC name of (2-bromophenyl)-diethylphosphane (CID 15265671) is (2-bromophenyl)-diethylphosphane.
What is the SMILES notation for (2-bromophenyl)-diethylphosphane?
The canonical SMILES for (2-bromophenyl)-diethylphosphane is CCP(CC)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-diethylphosphane?
The InChIKey is BVTRVXGWNOAGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrP/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3.
What are the key properties of (2-bromophenyl)-diethylphosphane?
(2-bromophenyl)-diethylphosphane has a molecular weight of 245.10 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-diethylphosphane is sourced from PubChem (CID 15265671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).