(3-ethylphenyl)phosphanium chloride

C8H12ClP — CID 172678220

IUPAC(3-ethylphenyl)phosphanium chloride
SMILESCCc1cccc([PH3+])c1.[Cl-]
InChIInChI=1S/C8H11P.ClH/c1-2-7-4-3-5-8(9)6-7;/h3-6H,2,9H2,1H3;1H
InChIKeyAALOTUQFVDHFDF-UHFFFAOYSA-N
MW174.61 g/mol
LogP-1.51
Rot. Bonds1

About (3-ethylphenyl)phosphanium chloride

(3-ethylphenyl)phosphanium chloride (PubChem CID 172678220) has the molecular formula C8H12ClP and a molecular weight of 174.61 g/mol. Its IUPAC name is (3-ethylphenyl)phosphanium chloride.

Molecular Properties

Compound Name(3-ethylphenyl)phosphanium chloride
PubChem CID172678220
Molecular FormulaC8H12ClP
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name(3-ethylphenyl)phosphanium chloride
SMILESCCc1cccc([PH3+])c1.[Cl-]
InChIInChI=1S/C8H11P.ClH/c1-2-7-4-3-5-8(9)6-7;/h3-6H,2,9H2,1H3;1H
InChIKeyAALOTUQFVDHFDF-UHFFFAOYSA-N
XLogP-1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 5-1.51
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

ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
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1-ethyl-3-methanidyloxybenzene;yttrium
CID 59798330
1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
1-ethyl-3-methylbenzene;methanamine
CID 167447790
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-methylsulfanylbenzene
CID 14944133
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)phosphanium chloride?
The IUPAC name of (3-ethylphenyl)phosphanium chloride (CID 172678220) is (3-ethylphenyl)phosphanium chloride.
What is the SMILES notation for (3-ethylphenyl)phosphanium chloride?
The canonical SMILES for (3-ethylphenyl)phosphanium chloride is CCc1cccc([PH3+])c1.[Cl-].
What is the InChIKey of (3-ethylphenyl)phosphanium chloride?
The InChIKey is AALOTUQFVDHFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11P.ClH/c1-2-7-4-3-5-8(9)6-7;/h3-6H,2,9H2,1H3;1H.
What are the key properties of (3-ethylphenyl)phosphanium chloride?
(3-ethylphenyl)phosphanium chloride has a molecular weight of 174.61 g/mol, XLogP of -1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)phosphanium chloride is sourced from PubChem (CID 172678220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).