(4-bromophenyl)-tert-butyl-methylphosphane

C11H16BrP — CID 23251533

IUPAC(4-bromophenyl)-tert-butyl-methylphosphane
SMILESCP(c1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C11H16BrP/c1-11(2,3)13(4)10-7-5-9(12)6-8-10/h5-8H,1-4H3
InChIKeyDQSXDYLUOAIGCE-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.98
Rot. Bonds1

About (4-bromophenyl)-tert-butyl-methylphosphane

(4-bromophenyl)-tert-butyl-methylphosphane (PubChem CID 23251533) has the molecular formula C11H16BrP and a molecular weight of 259.13 g/mol. Its IUPAC name is (4-bromophenyl)-tert-butyl-methylphosphane.

Molecular Properties

Compound Name(4-bromophenyl)-tert-butyl-methylphosphane
PubChem CID23251533
Molecular FormulaC11H16BrP
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name(4-bromophenyl)-tert-butyl-methylphosphane
SMILESCP(c1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C11H16BrP/c1-11(2,3)13(4)10-7-5-9(12)6-8-10/h5-8H,1-4H3
InChIKeyDQSXDYLUOAIGCE-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-1-dimethylphosphanylethanol
CID 171643768
(4-bromophenyl)-bis(ethenyl)phosphane
CID 18471989
azane;1,4-dibromobenzene
CID 175259215
4-bromobenzeneselenolate
CID 13099932
2-(4-bromophenyl)propane-2-thiol
CID 21489042
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
(4-bromophenyl)-tert-butyl-dimethylsilane
CID 15446452
1-bromo-4-(1,1-dimethoxyethyl)benzene
CID 10911782
2-(4-bromophenyl)-2-methylpropanal
CID 10013947
[1-(4-bromophenyl)-2,2-dimethylpropyl]-methylcarbamic acid
CID 67120690
1,4-dibromobenzene;oxostibane
CID 173366156

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-tert-butyl-methylphosphane?
The IUPAC name of (4-bromophenyl)-tert-butyl-methylphosphane (CID 23251533) is (4-bromophenyl)-tert-butyl-methylphosphane.
What is the SMILES notation for (4-bromophenyl)-tert-butyl-methylphosphane?
The canonical SMILES for (4-bromophenyl)-tert-butyl-methylphosphane is CP(c1ccc(Br)cc1)C(C)(C)C.
What is the InChIKey of (4-bromophenyl)-tert-butyl-methylphosphane?
The InChIKey is DQSXDYLUOAIGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrP/c1-11(2,3)13(4)10-7-5-9(12)6-8-10/h5-8H,1-4H3.
What are the key properties of (4-bromophenyl)-tert-butyl-methylphosphane?
(4-bromophenyl)-tert-butyl-methylphosphane has a molecular weight of 259.13 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-tert-butyl-methylphosphane is sourced from PubChem (CID 23251533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).