3-methylidene-1,2,2-triphenylphospholane

C23H21P — CID 22291267

IUPAC3-methylidene-1,2,2-triphenylphospholane
SMILESC=C1CCP(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21P/c1-19-17-18-24(22-15-9-4-10-16-22)23(19,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16H,1,17-18H2
InChIKeyAVCHCVVQXDRHKH-UHFFFAOYSA-N
MW328.40 g/mol
LogP5.70
Rot. Bonds3

About 3-methylidene-1,2,2-triphenylphospholane

3-methylidene-1,2,2-triphenylphospholane (PubChem CID 22291267) has the molecular formula C23H21P and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-methylidene-1,2,2-triphenylphospholane.

Molecular Properties

Compound Name3-methylidene-1,2,2-triphenylphospholane
PubChem CID22291267
Molecular FormulaC23H21P
Molecular Weight328.40 g/mol
Exact Mass328.14
IUPAC Name3-methylidene-1,2,2-triphenylphospholane
SMILESC=C1CCP(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21P/c1-19-17-18-24(22-15-9-4-10-16-22)23(19,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16H,1,17-18H2
InChIKeyAVCHCVVQXDRHKH-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.40
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1,2,2-triphenylphospholane?
The IUPAC name of 3-methylidene-1,2,2-triphenylphospholane (CID 22291267) is 3-methylidene-1,2,2-triphenylphospholane.
What is the SMILES notation for 3-methylidene-1,2,2-triphenylphospholane?
The canonical SMILES for 3-methylidene-1,2,2-triphenylphospholane is C=C1CCP(c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methylidene-1,2,2-triphenylphospholane?
The InChIKey is AVCHCVVQXDRHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21P/c1-19-17-18-24(22-15-9-4-10-16-22)23(19,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-16H,1,17-18H2.
What are the key properties of 3-methylidene-1,2,2-triphenylphospholane?
3-methylidene-1,2,2-triphenylphospholane has a molecular weight of 328.40 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1,2,2-triphenylphospholane is sourced from PubChem (CID 22291267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).