(2-ethyl-6-methylphenyl)methylphosphanium bromide

C10H16BrP — CID 68944646

IUPAC(2-ethyl-6-methylphenyl)methylphosphanium bromide
SMILESCCc1cccc(C)c1C[PH3+].[Br-]
InChIInChI=1S/C10H15P.BrH/c1-3-9-6-4-5-8(2)10(9)7-11;/h4-6H,3,7,11H2,1-2H3;1H
InChIKeyQFSBHJFXJUIFNO-UHFFFAOYSA-N
MW247.12 g/mol
LogP-0.33
Rot. Bonds2

About (2-ethyl-6-methylphenyl)methylphosphanium bromide

(2-ethyl-6-methylphenyl)methylphosphanium bromide (PubChem CID 68944646) has the molecular formula C10H16BrP and a molecular weight of 247.12 g/mol. Its IUPAC name is (2-ethyl-6-methylphenyl)methylphosphanium bromide.

Molecular Properties

Compound Name(2-ethyl-6-methylphenyl)methylphosphanium bromide
PubChem CID68944646
Molecular FormulaC10H16BrP
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name(2-ethyl-6-methylphenyl)methylphosphanium bromide
SMILESCCc1cccc(C)c1C[PH3+].[Br-]
InChIInChI=1S/C10H15P.BrH/c1-3-9-6-4-5-8(2)10(9)7-11;/h4-6H,3,7,11H2,1-2H3;1H
InChIKeyQFSBHJFXJUIFNO-UHFFFAOYSA-N
XLogP-0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 5-0.33
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

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CID 7237
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CID 7247
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CID 10686
1,3-Diethylbenzene
CID 8864
M-Cymene
CID 10812
3-Ethyltoluene
CID 12100
O-Cymene
CID 10703
1,2-Diethylbenzene
CID 8657
1-Methyl-2-propylbenzene
CID 14091
1,3-Diisopropylbenzene
CID 7450
1,2,3,4-Tetramethylbenzene
CID 10263
1-Ethyl-2-Methylbenzene
CID 11903

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-methylphenyl)methylphosphanium bromide?
The IUPAC name of (2-ethyl-6-methylphenyl)methylphosphanium bromide (CID 68944646) is (2-ethyl-6-methylphenyl)methylphosphanium bromide.
What is the SMILES notation for (2-ethyl-6-methylphenyl)methylphosphanium bromide?
The canonical SMILES for (2-ethyl-6-methylphenyl)methylphosphanium bromide is CCc1cccc(C)c1C[PH3+].[Br-].
What is the InChIKey of (2-ethyl-6-methylphenyl)methylphosphanium bromide?
The InChIKey is QFSBHJFXJUIFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15P.BrH/c1-3-9-6-4-5-8(2)10(9)7-11;/h4-6H,3,7,11H2,1-2H3;1H.
What are the key properties of (2-ethyl-6-methylphenyl)methylphosphanium bromide?
(2-ethyl-6-methylphenyl)methylphosphanium bromide has a molecular weight of 247.12 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-methylphenyl)methylphosphanium bromide is sourced from PubChem (CID 68944646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).