(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide

C23H23OP — CID 11581020

IUPAC(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide
SMILESCc1ccccc1P1(=O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C23H23OP/c1-18-10-8-9-15-21(18)25(24)22(19-11-4-2-5-12-19)16-17-23(25)20-13-6-3-7-14-20/h2-15,22-23H,16-17H2,1H3/t22-,23-/m0/s1
InChIKeyWBOXPALRKSVGFY-GOTSBHOMSA-N
MW346.41 g/mol
LogP6.26
Rot. Bonds3

About (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide

(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide (PubChem CID 11581020) has the molecular formula C23H23OP and a molecular weight of 346.41 g/mol. Its IUPAC name is (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide
PubChem CID11581020
Molecular FormulaC23H23OP
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide
SMILESCc1ccccc1P1(=O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C23H23OP/c1-18-10-8-9-15-21(18)25(24)22(19-11-4-2-5-12-19)16-17-23(25)20-13-6-3-7-14-20/h2-15,22-23H,16-17H2,1H3/t22-,23-/m0/s1
InChIKeyWBOXPALRKSVGFY-GOTSBHOMSA-N
XLogP6.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide?
The IUPAC name of (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide (CID 11581020) is (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide?
The canonical SMILES for (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide is Cc1ccccc1P1(=O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide?
The InChIKey is WBOXPALRKSVGFY-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H23OP/c1-18-10-8-9-15-21(18)25(24)22(19-11-4-2-5-12-19)16-17-23(25)20-13-6-3-7-14-20/h2-15,22-23H,16-17H2,1H3/t22-,23-/m0/s1.
What are the key properties of (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide?
(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide has a molecular weight of 346.41 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 11581020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).