(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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Related Compounds

Chlorodiphenylphosphine
CID 66180
1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
CID 69722
1H-Phosphole, 2,5-dihydro-3-methyl-1-phenyl-, 1-oxide
CID 82053
Diphenylphosphine
CID 70017
Ethyldiphenylphosphine
CID 69082
Phenyltriethylphosphonium iodide
CID 102363
Dimethylphenylphosphine
CID 69597
Methyldiphenylphosphine
CID 73879
Ethyldiphenylphosphine oxide
CID 74423
Diphenylpropylphosphine
CID 82100
Dimethylphenylphosphine oxide
CID 66304
Diethylphenylphosphine
CID 74149

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).