(2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide

C18H20OP+ — CID 134577154

IUPAC(2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide
SMILESCc1ccc([C@H]2CC[C@H](c3ccc(C)cc3)[P+]2=O)cc1
InChIInChI=1S/C18H20OP/c1-13-3-7-15(8-4-13)17-11-12-18(20(17)19)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3/q+1/t17-,18-/m1/s1
InChIKeyXSSIAUORZHWLMW-QZTJIDSGSA-N
MW283.33 g/mol
LogP5.71
Rot. Bonds2

About (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide

(2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide (PubChem CID 134577154) has the molecular formula C18H20OP+ and a molecular weight of 283.33 g/mol. Its IUPAC name is (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide.

Molecular Properties

Compound Name(2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide
PubChem CID134577154
Molecular FormulaC18H20OP+
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide
SMILESCc1ccc([C@H]2CC[C@H](c3ccc(C)cc3)[P+]2=O)cc1
InChIInChI=1S/C18H20OP/c1-13-3-7-15(8-4-13)17-11-12-18(20(17)19)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3/q+1/t17-,18-/m1/s1
InChIKeyXSSIAUORZHWLMW-QZTJIDSGSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.33
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2.2)Paracyclophane
CID 74210
((1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl)diphenylphosphine oxide
CID 21678144
Di-p-tolylmethane
CID 21071
(4-Biphenyl-4-yl-1-phosphono-butyl)-phosphonic acid
CID 10067729
1,2-Di-p-tolylethane
CID 10854
Diphenyl(phenylmethyl)phosphine oxide
CID 76293
4-Pentylbiphenyl
CID 81546
4-Methyl-4'-n-propyl-[1,1-biphenyl]
CID 20591669
Phosphine oxide, tribenzyl-
CID 99393
Tris(4-methylphenyl)phosphine oxide
CID 120383
1,1'-Biphenyl, 4-octyl-
CID 201918
4,4'-Diethylbiphenyl
CID 42292

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide?
The IUPAC name of (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide (CID 134577154) is (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide.
What is the SMILES notation for (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide?
The canonical SMILES for (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide is Cc1ccc([C@H]2CC[C@H](c3ccc(C)cc3)[P+]2=O)cc1.
What is the InChIKey of (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide?
The InChIKey is XSSIAUORZHWLMW-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20OP/c1-13-3-7-15(8-4-13)17-11-12-18(20(17)19)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3/q+1/t17-,18-/m1/s1.
What are the key properties of (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide?
(2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide has a molecular weight of 283.33 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis(4-methylphenyl)phospholan-1-ium 1-oxide is sourced from PubChem (CID 134577154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).