[4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane

C11H16BrP — CID 174825366

IUPAC[4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane
SMILESCCC(C)(C)c1cc(Br)ccc1P
InChIInChI=1S/C11H16BrP/c1-4-11(2,3)9-7-8(12)5-6-10(9)13/h5-7H,4,13H2,1-3H3
InChIKeyXZNNYCZMQABGON-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.64
Rot. Bonds2

About [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane

[4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane (PubChem CID 174825366) has the molecular formula C11H16BrP and a molecular weight of 259.13 g/mol. Its IUPAC name is [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name[4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane
PubChem CID174825366
Molecular FormulaC11H16BrP
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name[4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane
SMILESCCC(C)(C)c1cc(Br)ccc1P
InChIInChI=1S/C11H16BrP/c1-4-11(2,3)9-7-8(12)5-6-10(9)13/h5-7H,4,13H2,1-3H3
InChIKeyXZNNYCZMQABGON-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.64
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 [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane?
The IUPAC name of [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane (CID 174825366) is [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane.
What is the SMILES notation for [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane?
The canonical SMILES for [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane is CCC(C)(C)c1cc(Br)ccc1P.
What is the InChIKey of [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane?
The InChIKey is XZNNYCZMQABGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrP/c1-4-11(2,3)9-7-8(12)5-6-10(9)13/h5-7H,4,13H2,1-3H3.
What are the key properties of [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane?
[4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane has a molecular weight of 259.13 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2-methylbutan-2-yl)phenyl]phosphane is sourced from PubChem (CID 174825366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).