1-(2-bromophenyl)-3,4-dimethylphosphole

C12H12BrP — CID 15832703

IUPAC1-(2-bromophenyl)-3,4-dimethylphosphole
SMILESCc1cp(-c2ccccc2Br)cc1C
InChIInChI=1S/C12H12BrP/c1-9-7-14(8-10(9)2)12-6-4-3-5-11(12)13/h3-8H,1-2H3
InChIKeyNCXOCXWATUJLOC-UHFFFAOYSA-N
MW267.11 g/mol
LogP5.04
Rot. Bonds1

About 1-(2-bromophenyl)-3,4-dimethylphosphole

1-(2-bromophenyl)-3,4-dimethylphosphole (PubChem CID 15832703) has the molecular formula C12H12BrP and a molecular weight of 267.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3,4-dimethylphosphole.

Molecular Properties

Compound Name1-(2-bromophenyl)-3,4-dimethylphosphole
PubChem CID15832703
Molecular FormulaC12H12BrP
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name1-(2-bromophenyl)-3,4-dimethylphosphole
SMILESCc1cp(-c2ccccc2Br)cc1C
InChIInChI=1S/C12H12BrP/c1-9-7-14(8-10(9)2)12-6-4-3-5-11(12)13/h3-8H,1-2H3
InChIKeyNCXOCXWATUJLOC-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.11
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3,4-dimethylphosphole?
The IUPAC name of 1-(2-bromophenyl)-3,4-dimethylphosphole (CID 15832703) is 1-(2-bromophenyl)-3,4-dimethylphosphole.
What is the SMILES notation for 1-(2-bromophenyl)-3,4-dimethylphosphole?
The canonical SMILES for 1-(2-bromophenyl)-3,4-dimethylphosphole is Cc1cp(-c2ccccc2Br)cc1C.
What is the InChIKey of 1-(2-bromophenyl)-3,4-dimethylphosphole?
The InChIKey is NCXOCXWATUJLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrP/c1-9-7-14(8-10(9)2)12-6-4-3-5-11(12)13/h3-8H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3,4-dimethylphosphole?
1-(2-bromophenyl)-3,4-dimethylphosphole has a molecular weight of 267.11 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3,4-dimethylphosphole is sourced from PubChem (CID 15832703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).