[2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane

C23H25O2PS — CID 25145860

IUPAC[2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane
SMILESCOc1cccc([S@@](=O)C(C)(C)C)c1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25O2PS/c1-23(2,3)27(24)21-17-11-16-20(25-4)22(21)26(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,1-4H3/t27-/m1/s1
InChIKeyLMJCTIPKBNFRCB-HHHXNRCGSA-N
MW396.49 g/mol
LogP4.36
Rot. Bonds5

About [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane

[2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane (PubChem CID 25145860) has the molecular formula C23H25O2PS and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane
PubChem CID25145860
Molecular FormulaC23H25O2PS
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC Name[2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane
SMILESCOc1cccc([S@@](=O)C(C)(C)C)c1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25O2PS/c1-23(2,3)27(24)21-17-11-16-20(25-4)22(21)26(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,1-4H3/t27-/m1/s1
InChIKeyLMJCTIPKBNFRCB-HHHXNRCGSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-adamantyloxy)-6-[(R)-tert-butylsulfinyl]-3-methoxyphenyl]-diphenylphosphane
CID 166448456
2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
CID 12977583
1-tert-butylsulfinyl-2-[(2-tert-butylsulfinylphenoxy)methoxy]benzene
CID 74963436
(2-carbazol-9-yl-6-methoxyphenyl)-diphenylphosphane
CID 118467175
potassium 2-methoxybenzenesulfinate
CID 70117508
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
ethyl (E)-3-(2-diphenylphosphanyl-3-methoxyphenoxy)prop-2-enoate
CID 102304463
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
N-[(S)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)-naphthalen-1-ylmethyl]-2-methylpropane-2-sulfinamide
CID 155885270
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
(R)-N-[(S)-(3,5-ditert-butyl-4-methoxyphenyl)-(2-diphenylphosphanyl-4,5-dimethoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 164887393

Frequently Asked Questions

What is the IUPAC name of [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane?
The IUPAC name of [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane (CID 25145860) is [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane?
The canonical SMILES for [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane is COc1cccc([S@@](=O)C(C)(C)C)c1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane?
The InChIKey is LMJCTIPKBNFRCB-HHHXNRCGSA-N. The full InChI is InChI=1S/C23H25O2PS/c1-23(2,3)27(24)21-17-11-16-20(25-4)22(21)26(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,1-4H3/t27-/m1/s1.
What are the key properties of [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane?
[2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane has a molecular weight of 396.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(S)-tert-butylsulfinyl]-6-methoxyphenyl]-diphenylphosphane is sourced from PubChem (CID 25145860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).