bromo-[3-(3,5-dimethylphenyl)propyl]phosphane

C11H16BrP — CID 168765267

IUPACbromo-[3-(3,5-dimethylphenyl)propyl]phosphane
SMILESCc1cc(C)cc(CCCPBr)c1
InChIInChI=1S/C11H16BrP/c1-9-6-10(2)8-11(7-9)4-3-5-13-12/h6-8,13H,3-5H2,1-2H3
InChIKeyXRMDCUKNDJHNJE-UHFFFAOYSA-N
MW259.13 g/mol
LogP4.22
Rot. Bonds4

About bromo-[3-(3,5-dimethylphenyl)propyl]phosphane

bromo-[3-(3,5-dimethylphenyl)propyl]phosphane (PubChem CID 168765267) has the molecular formula C11H16BrP and a molecular weight of 259.13 g/mol. Its IUPAC name is bromo-[3-(3,5-dimethylphenyl)propyl]phosphane.

Molecular Properties

Compound Namebromo-[3-(3,5-dimethylphenyl)propyl]phosphane
PubChem CID168765267
Molecular FormulaC11H16BrP
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Namebromo-[3-(3,5-dimethylphenyl)propyl]phosphane
SMILESCc1cc(C)cc(CCCPBr)c1
InChIInChI=1S/C11H16BrP/c1-9-6-10(2)8-11(7-9)4-3-5-13-12/h6-8,13H,3-5H2,1-2H3
InChIKeyXRMDCUKNDJHNJE-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 54776136
chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane
CID 168765246
1,3-dimethyl-5-pent-4-ynylbenzene
CID 134966774
1-(chloromethyl)-3-(3-chloropropyl)-5-methylbenzene
CID 131432314
1-(3-chloropropyl)-3-fluoro-5-methylbenzene
CID 79704910
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
bromo(4-phenylbutyl)phosphane
CID 141313011
1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine
CID 83908581
1-ethyl-3-methyl-5-pentylbenzene
CID 142401293
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416

Frequently Asked Questions

What is the IUPAC name of bromo-[3-(3,5-dimethylphenyl)propyl]phosphane?
The IUPAC name of bromo-[3-(3,5-dimethylphenyl)propyl]phosphane (CID 168765267) is bromo-[3-(3,5-dimethylphenyl)propyl]phosphane.
What is the SMILES notation for bromo-[3-(3,5-dimethylphenyl)propyl]phosphane?
The canonical SMILES for bromo-[3-(3,5-dimethylphenyl)propyl]phosphane is Cc1cc(C)cc(CCCPBr)c1.
What is the InChIKey of bromo-[3-(3,5-dimethylphenyl)propyl]phosphane?
The InChIKey is XRMDCUKNDJHNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrP/c1-9-6-10(2)8-11(7-9)4-3-5-13-12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of bromo-[3-(3,5-dimethylphenyl)propyl]phosphane?
bromo-[3-(3,5-dimethylphenyl)propyl]phosphane has a molecular weight of 259.13 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[3-(3,5-dimethylphenyl)propyl]phosphane is sourced from PubChem (CID 168765267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).