1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole

C11H13Cl2P — CID 5235501

IUPAC1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole
SMILESCC1=CP(Cl)(Cl)(c2ccccc2)CC1
InChIInChI=1S/C11H13Cl2P/c1-10-7-8-14(12,13,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyAEMRMAGLXFMHPL-UHFFFAOYSA-N
MW247.11 g/mol
LogP4.48
Rot. Bonds1

About 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole

1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole (PubChem CID 5235501) has the molecular formula C11H13Cl2P and a molecular weight of 247.11 g/mol. Its IUPAC name is 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole.

Molecular Properties

Compound Name1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole
PubChem CID5235501
Molecular FormulaC11H13Cl2P
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole
SMILESCC1=CP(Cl)(Cl)(c2ccccc2)CC1
InChIInChI=1S/C11H13Cl2P/c1-10-7-8-14(12,13,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyAEMRMAGLXFMHPL-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 54.48
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 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole?
The IUPAC name of 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole (CID 5235501) is 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole.
What is the SMILES notation for 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole?
The canonical SMILES for 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole is CC1=CP(Cl)(Cl)(c2ccccc2)CC1.
What is the InChIKey of 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole?
The InChIKey is AEMRMAGLXFMHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2P/c1-10-7-8-14(12,13,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole?
1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole has a molecular weight of 247.11 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole is sourced from PubChem (CID 5235501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).