3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium

C18H20P+ — CID 10935558

IUPAC3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium
SMILESCC1=C(C)C[P+](c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H20P/c1-15-13-19(14-16(15)2,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/q+1
InChIKeyRYBZPOJYIGSTDO-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.01
Rot. Bonds2

About 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium

3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium (PubChem CID 10935558) has the molecular formula C18H20P+ and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium.

Molecular Properties

Compound Name3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium
PubChem CID10935558
Molecular FormulaC18H20P+
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium
SMILESCC1=C(C)C[P+](c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C18H20P/c1-15-13-19(14-16(15)2,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/q+1
InChIKeyRYBZPOJYIGSTDO-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 6333574
2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium
CID 12525360
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CID 98533107
4-ethyl-7-methyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
CID 134985357
4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol
CID 72697781
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methylcyclotriacontapentadecaene
CID 101240530
benzene;1,2-xylene
CID 161464493
1-chloro-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium
CID 23279875
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CID 174932939

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium?
The IUPAC name of 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium (CID 10935558) is 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium.
What is the SMILES notation for 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium?
The canonical SMILES for 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium is CC1=C(C)C[P+](c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium?
The InChIKey is RYBZPOJYIGSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20P/c1-15-13-19(14-16(15)2,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/q+1.
What are the key properties of 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium?
3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium has a molecular weight of 267.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,1-diphenyl-2,5-dihydrophosphol-1-ium is sourced from PubChem (CID 10935558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).