1-benzyl-2,3-dichloro-3-methylphospholane

C12H15Cl2P — CID 54349959

IUPAC1-benzyl-2,3-dichloro-3-methylphospholane
SMILESCC1(Cl)CCP(Cc2ccccc2)C1Cl
InChIInChI=1S/C12H15Cl2P/c1-12(14)7-8-15(11(12)13)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyUFAJCSNXGRDPLO-UHFFFAOYSA-N
MW261.13 g/mol
LogP4.63
Rot. Bonds2

About 1-benzyl-2,3-dichloro-3-methylphospholane

1-benzyl-2,3-dichloro-3-methylphospholane (PubChem CID 54349959) has the molecular formula C12H15Cl2P and a molecular weight of 261.13 g/mol. Its IUPAC name is 1-benzyl-2,3-dichloro-3-methylphospholane.

Molecular Properties

Compound Name1-benzyl-2,3-dichloro-3-methylphospholane
PubChem CID54349959
Molecular FormulaC12H15Cl2P
Molecular Weight261.13 g/mol
Exact Mass260.03
IUPAC Name1-benzyl-2,3-dichloro-3-methylphospholane
SMILESCC1(Cl)CCP(Cc2ccccc2)C1Cl
InChIInChI=1S/C12H15Cl2P/c1-12(14)7-8-15(11(12)13)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyUFAJCSNXGRDPLO-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-benzyl-2,3-dichloro-3-methylphospholane?
The IUPAC name of 1-benzyl-2,3-dichloro-3-methylphospholane (CID 54349959) is 1-benzyl-2,3-dichloro-3-methylphospholane.
What is the SMILES notation for 1-benzyl-2,3-dichloro-3-methylphospholane?
The canonical SMILES for 1-benzyl-2,3-dichloro-3-methylphospholane is CC1(Cl)CCP(Cc2ccccc2)C1Cl.
What is the InChIKey of 1-benzyl-2,3-dichloro-3-methylphospholane?
The InChIKey is UFAJCSNXGRDPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2P/c1-12(14)7-8-15(11(12)13)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of 1-benzyl-2,3-dichloro-3-methylphospholane?
1-benzyl-2,3-dichloro-3-methylphospholane has a molecular weight of 261.13 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dichloro-3-methylphospholane is sourced from PubChem (CID 54349959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).