(2S,3S)-2,3-dimethyl-1-phenylphosphirane

C10H13P — CID 10844752

IUPAC(2S,3S)-2,3-dimethyl-1-phenylphosphirane
SMILESC[C@H]1[C@H](C)P1c1ccccc1
InChIInChI=1S/C10H13P/c1-8-9(2)11(8)10-6-4-3-5-7-10/h3-9H,1-2H3/t8-,9-/m0/s1
InChIKeyCPVYFYRHECFMNO-IUCAKERBSA-N
MW164.19 g/mol
LogP2.58
Rot. Bonds1

About (2S,3S)-2,3-dimethyl-1-phenylphosphirane

(2S,3S)-2,3-dimethyl-1-phenylphosphirane (PubChem CID 10844752) has the molecular formula C10H13P and a molecular weight of 164.19 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-1-phenylphosphirane.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-1-phenylphosphirane
PubChem CID10844752
Molecular FormulaC10H13P
Molecular Weight164.19 g/mol
Exact Mass164.08
IUPAC Name(2S,3S)-2,3-dimethyl-1-phenylphosphirane
SMILESC[C@H]1[C@H](C)P1c1ccccc1
InChIInChI=1S/C10H13P/c1-8-9(2)11(8)10-6-4-3-5-7-10/h3-9H,1-2H3/t8-,9-/m0/s1
InChIKeyCPVYFYRHECFMNO-IUCAKERBSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.58
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 (2S,3S)-2,3-dimethyl-1-phenylphosphirane?
The IUPAC name of (2S,3S)-2,3-dimethyl-1-phenylphosphirane (CID 10844752) is (2S,3S)-2,3-dimethyl-1-phenylphosphirane.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-1-phenylphosphirane?
The canonical SMILES for (2S,3S)-2,3-dimethyl-1-phenylphosphirane is C[C@H]1[C@H](C)P1c1ccccc1.
What is the InChIKey of (2S,3S)-2,3-dimethyl-1-phenylphosphirane?
The InChIKey is CPVYFYRHECFMNO-IUCAKERBSA-N. The full InChI is InChI=1S/C10H13P/c1-8-9(2)11(8)10-6-4-3-5-7-10/h3-9H,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-1-phenylphosphirane?
(2S,3S)-2,3-dimethyl-1-phenylphosphirane has a molecular weight of 164.19 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-1-phenylphosphirane is sourced from PubChem (CID 10844752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).