4-methyl-5-phenyl-3,4-dihydro-2H-phosphole

C11H13P — CID 87590104

IUPAC4-methyl-5-phenyl-3,4-dihydro-2H-phosphole
SMILESCC1CCP=C1c1ccccc1
InChIInChI=1S/C11H13P/c1-9-7-8-12-11(9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyGSQJJEWLBQTDEV-UHFFFAOYSA-N
MW176.20 g/mol
LogP3.19
Rot. Bonds1

About 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole

4-methyl-5-phenyl-3,4-dihydro-2H-phosphole (PubChem CID 87590104) has the molecular formula C11H13P and a molecular weight of 176.20 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole.

Molecular Properties

Compound Name4-methyl-5-phenyl-3,4-dihydro-2H-phosphole
PubChem CID87590104
Molecular FormulaC11H13P
Molecular Weight176.20 g/mol
Exact Mass176.08
IUPAC Name4-methyl-5-phenyl-3,4-dihydro-2H-phosphole
SMILESCC1CCP=C1c1ccccc1
InChIInChI=1S/C11H13P/c1-9-7-8-12-11(9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyGSQJJEWLBQTDEV-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole?
The IUPAC name of 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole (CID 87590104) is 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole.
What is the SMILES notation for 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole?
The canonical SMILES for 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole is CC1CCP=C1c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole?
The InChIKey is GSQJJEWLBQTDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13P/c1-9-7-8-12-11(9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole?
4-methyl-5-phenyl-3,4-dihydro-2H-phosphole has a molecular weight of 176.20 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3,4-dihydro-2H-phosphole is sourced from PubChem (CID 87590104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).