benzyl(trimethyl)phosphanium;hydrobromide

C10H17BrP+ — CID 154945301

IUPACbenzyl(trimethyl)phosphanium;hydrobromide
SMILESBr.C[P+](C)(C)Cc1ccccc1
InChIInChI=1S/C10H16P.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;
InChIKeyVTQLZQMNJYFXIZ-UHFFFAOYSA-N
MW248.12 g/mol
LogP3.67
Rot. Bonds2

About benzyl(trimethyl)phosphanium;hydrobromide

benzyl(trimethyl)phosphanium;hydrobromide (PubChem CID 154945301) has the molecular formula C10H17BrP+ and a molecular weight of 248.12 g/mol. Its IUPAC name is benzyl(trimethyl)phosphanium;hydrobromide.

Molecular Properties

Compound Namebenzyl(trimethyl)phosphanium;hydrobromide
PubChem CID154945301
Molecular FormulaC10H17BrP+
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC Namebenzyl(trimethyl)phosphanium;hydrobromide
SMILESBr.C[P+](C)(C)Cc1ccccc1
InChIInChI=1S/C10H16P.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;
InChIKeyVTQLZQMNJYFXIZ-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 53.67
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

benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
ethane;2-methylpropylbenzene
CID 162200929
benzyl-methyl-dipropylphosphanium
CID 23546516
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
trimethyl(2-phenylethyl)phosphanium
CID 10777798
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035
tribenzyl(ethyl)phosphanium
CID 23415376
benzenesulfonate;bis(tribenzyl(methyl)phosphanium)
CID 158781349
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
azane;1-phenylpropan-2-amine
CID 67350534
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842

Frequently Asked Questions

What is the IUPAC name of benzyl(trimethyl)phosphanium;hydrobromide?
The IUPAC name of benzyl(trimethyl)phosphanium;hydrobromide (CID 154945301) is benzyl(trimethyl)phosphanium;hydrobromide.
What is the SMILES notation for benzyl(trimethyl)phosphanium;hydrobromide?
The canonical SMILES for benzyl(trimethyl)phosphanium;hydrobromide is Br.C[P+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl(trimethyl)phosphanium;hydrobromide?
The InChIKey is VTQLZQMNJYFXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16P.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;.
What are the key properties of benzyl(trimethyl)phosphanium;hydrobromide?
benzyl(trimethyl)phosphanium;hydrobromide has a molecular weight of 248.12 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(trimethyl)phosphanium;hydrobromide is sourced from PubChem (CID 154945301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).