[(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane

C26H23OPS — CID 101484176

IUPAC[(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane
SMILESCc1ccc(S(=O)[C@H](c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23OPS/c1-21-17-19-25(20-18-21)29(27)26(22-11-5-2-6-12-22)28(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26H,1H3/t26-,29?/m1/s1
InChIKeyGLHOYDDMCWUWAE-QZWVJJBASA-N
MW414.51 g/mol
LogP5.93
Rot. Bonds6

About [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane

[(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane (PubChem CID 101484176) has the molecular formula C26H23OPS and a molecular weight of 414.51 g/mol. Its IUPAC name is [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane
PubChem CID101484176
Molecular FormulaC26H23OPS
Molecular Weight414.51 g/mol
Exact Mass414.12
IUPAC Name[(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane
SMILESCc1ccc(S(=O)[C@H](c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23OPS/c1-21-17-19-25(20-18-21)29(27)26(22-11-5-2-6-12-22)28(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26H,1H3/t26-,29?/m1/s1
InChIKeyGLHOYDDMCWUWAE-QZWVJJBASA-N
XLogP5.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.93
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

(1R,2S)-2-chloro-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 10613755
(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
tert-butyl (2R,3R)-3-hydroxy-2-[(R)-(4-methylphenyl)sulfinyl]-3-phenylpropanoate
CID 11132146
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
(2R,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-ol
CID 11380685
[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
CID 101382224
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
CID 10923906
(1R)-2-[2-(4-methylphenyl)sulfinylphenyl]-1-phenylethanol
CID 102211608
1-(difluoromethylsulfinyl)-4-methylbenzene
CID 586872
methyl 2-acetyl-4-[(R)-(4-methylphenyl)sulfinyl]-5-oxo-3-phenylhexanoate
CID 10092393
4-chloro-N,N-dimethyl-4-(4-methylphenyl)sulfinyl-3-phenylbutanamide
CID 101366875

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane?
The IUPAC name of [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane (CID 101484176) is [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane.
What is the SMILES notation for [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane?
The canonical SMILES for [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane is Cc1ccc(S(=O)[C@H](c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane?
The InChIKey is GLHOYDDMCWUWAE-QZWVJJBASA-N. The full InChI is InChI=1S/C26H23OPS/c1-21-17-19-25(20-18-21)29(27)26(22-11-5-2-6-12-22)28(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26H,1H3/t26-,29?/m1/s1.
What are the key properties of [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane?
[(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane has a molecular weight of 414.51 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane is sourced from PubChem (CID 101484176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).