[2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane

C23H34O2SSi — CID 72962573

IUPAC[2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane
SMILESCc1ccc(S(=O)c2ccccc2CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C23H34O2SSi/c1-17(2)27(18(3)4,19(5)6)25-16-21-10-8-9-11-23(21)26(24)22-14-12-20(7)13-15-22/h8-15,17-19H,16H2,1-7H3
InChIKeySKVZXBLCJMQULQ-UHFFFAOYSA-N
MW402.68 g/mol
LogP6.85
Rot. Bonds8

About [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane

[2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane (PubChem CID 72962573) has the molecular formula C23H34O2SSi and a molecular weight of 402.68 g/mol. Its IUPAC name is [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane
PubChem CID72962573
Molecular FormulaC23H34O2SSi
Molecular Weight402.68 g/mol
Exact Mass402.20
IUPAC Name[2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane
SMILESCc1ccc(S(=O)c2ccccc2CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C23H34O2SSi/c1-17(2)27(18(3)4,19(5)6)25-16-21-10-8-9-11-23(21)26(24)22-14-12-20(7)13-15-22/h8-15,17-19H,16H2,1-7H3
InChIKeySKVZXBLCJMQULQ-UHFFFAOYSA-N
XLogP6.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,2-Difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
CID 132604593
tert-butyl-[(Z)-2-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)but-2-enoxy]-dimethylsilane
CID 150999821
tert-butyl-[(E)-2-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)but-2-enoxy]-dimethylsilane
CID 173132149
Tert-butyl-[[4-[ditert-butyl(fluoro)-lambda4-sulfanyl]phenyl]methoxy]-dimethylsilane
CID 174039863
Trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane
CID 12641117
Tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane
CID 73112372
[2-(4-Methylphenyl)sulfinylphenyl]methanol
CID 91103564
4-Methoxy-methyl phenyl sulfoxide
CID 129662114
Tert-butyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]-diphenylsilane
CID 134878629
(E,1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol
CID 134880456
(E,1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenyl-3-trimethylsilylprop-2-en-1-ol
CID 134931125
[[4-(Benzenesulfonyl)phenyl]-phenylmethoxy]-tert-butyl-dimethylsilane
CID 134948578

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane (CID 72962573) is [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane is Cc1ccc(S(=O)c2ccccc2CO[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane?
The InChIKey is SKVZXBLCJMQULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2SSi/c1-17(2)27(18(3)4,19(5)6)25-16-21-10-8-9-11-23(21)26(24)22-14-12-20(7)13-15-22/h8-15,17-19H,16H2,1-7H3.
What are the key properties of [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane?
[2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane has a molecular weight of 402.68 g/mol, XLogP of 6.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)sulfinylphenyl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 72962573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).