1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium

C18H22P+ — CID 5111887

IUPAC1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium
SMILESCC1(C)CC[P+](C)(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H22P/c1-18(2)13-14-19(3,15-9-5-4-6-10-15)17-12-8-7-11-16(17)18/h4-12H,13-14H2,1-3H3/q+1
InChIKeyGHEYNHYQYGWROH-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.97
Rot. Bonds1

About 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium

1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium (PubChem CID 5111887) has the molecular formula C18H22P+ and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium.

Molecular Properties

Compound Name1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium
PubChem CID5111887
Molecular FormulaC18H22P+
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium
SMILESCC1(C)CC[P+](C)(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H22P/c1-18(2)13-14-19(3,15-9-5-4-6-10-15)17-12-8-7-11-16(17)18/h4-12H,13-14H2,1-3H3/q+1
InChIKeyGHEYNHYQYGWROH-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium?
The IUPAC name of 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium (CID 5111887) is 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium.
What is the SMILES notation for 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium?
The canonical SMILES for 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium is CC1(C)CC[P+](C)(c2ccccc2)c2ccccc21.
What is the InChIKey of 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium?
The InChIKey is GHEYNHYQYGWROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22P/c1-18(2)13-14-19(3,15-9-5-4-6-10-15)17-12-8-7-11-16(17)18/h4-12H,13-14H2,1-3H3/q+1.
What are the key properties of 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium?
1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium has a molecular weight of 269.35 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-1-phenyl-2,3-dihydrophosphinolin-1-ium is sourced from PubChem (CID 5111887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).