[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol

C26H31ClO2Si — CID 159500397

IUPAC[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)(c2cccc(O[Si](C)(C)C(C)(C)C)c2)c2ccccc2Cl)c1
InChIInChI=1S/C26H31ClO2Si/c1-19-11-9-12-20(17-19)26(28,23-15-7-8-16-24(23)27)21-13-10-14-22(18-21)29-30(5,6)25(2,3)4/h7-18,28H,1-6H3
InChIKeyUFAYHRBWKLEODT-UHFFFAOYSA-N
MW439.07 g/mol
LogP7.32
Rot. Bonds5

About [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol

[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol (PubChem CID 159500397) has the molecular formula C26H31ClO2Si and a molecular weight of 439.07 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol
PubChem CID159500397
Molecular FormulaC26H31ClO2Si
Molecular Weight439.07 g/mol
Exact Mass438.18
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)(c2cccc(O[Si](C)(C)C(C)(C)C)c2)c2ccccc2Cl)c1
InChIInChI=1S/C26H31ClO2Si/c1-19-11-9-12-20(17-19)26(28,23-15-7-8-16-24(23)27)21-13-10-14-22(18-21)29-30(5,6)25(2,3)4/h7-18,28H,1-6H3
InChIKeyUFAYHRBWKLEODT-UHFFFAOYSA-N
XLogP7.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.07
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol
CID 166175292
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
CID 23439965
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone
CID 68830331
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
(3-methylphenyl)-dipyridin-2-ylmethanol
CID 102429011
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
2-(2-chlorophenyl)propan-2-ol
CID 12759846
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene
CID 162014884

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol (CID 159500397) is [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol is Cc1cccc(C(O)(c2cccc(O[Si](C)(C)C(C)(C)C)c2)c2ccccc2Cl)c1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol?
The InChIKey is UFAYHRBWKLEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClO2Si/c1-19-11-9-12-20(17-19)26(28,23-15-7-8-16-24(23)27)21-13-10-14-22(18-21)29-30(5,6)25(2,3)4/h7-18,28H,1-6H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol?
[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol has a molecular weight of 439.07 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol is sourced from PubChem (CID 159500397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).