(4-bromo-3-methylphenyl)phosphane;ethane

C9H14BrP — CID 176969000

IUPAC(4-bromo-3-methylphenyl)phosphane;ethane
SMILESCC.Cc1cc(P)ccc1Br
InChIInChI=1S/C7H8BrP.C2H6/c1-5-4-6(9)2-3-7(5)8;1-2/h2-4H,9H2,1H3;1-2H3
InChIKeyUMLXWAOZZOCDJJ-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.28
Rot. Bonds

About (4-bromo-3-methylphenyl)phosphane;ethane

(4-bromo-3-methylphenyl)phosphane;ethane (PubChem CID 176969000) has the molecular formula C9H14BrP and a molecular weight of 233.09 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)phosphane;ethane.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)phosphane;ethane
PubChem CID176969000
Molecular FormulaC9H14BrP
Molecular Weight233.09 g/mol
Exact Mass232.00
IUPAC Name(4-bromo-3-methylphenyl)phosphane;ethane
SMILESCC.Cc1cc(P)ccc1Br
InChIInChI=1S/C7H8BrP.C2H6/c1-5-4-6(9)2-3-7(5)8;1-2/h2-4H,9H2,1H3;1-2H3
InChIKeyUMLXWAOZZOCDJJ-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.28
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-3-methylphenyl)phosphane;ethane?
The IUPAC name of (4-bromo-3-methylphenyl)phosphane;ethane (CID 176969000) is (4-bromo-3-methylphenyl)phosphane;ethane.
What is the SMILES notation for (4-bromo-3-methylphenyl)phosphane;ethane?
The canonical SMILES for (4-bromo-3-methylphenyl)phosphane;ethane is CC.Cc1cc(P)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)phosphane;ethane?
The InChIKey is UMLXWAOZZOCDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrP.C2H6/c1-5-4-6(9)2-3-7(5)8;1-2/h2-4H,9H2,1H3;1-2H3.
What are the key properties of (4-bromo-3-methylphenyl)phosphane;ethane?
(4-bromo-3-methylphenyl)phosphane;ethane has a molecular weight of 233.09 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)phosphane;ethane is sourced from PubChem (CID 176969000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).