2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol

C23H32O4Si — CID 24971004

IUPAC2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
SMILESCC1(c2cc([Si](C)(C)C(C)(C)C)c(O)cc2OCc2ccccc2)OCCO1
InChIInChI=1S/C23H32O4Si/c1-22(2,3)28(5,6)21-14-18(23(4)26-12-13-27-23)20(15-19(21)24)25-16-17-10-8-7-9-11-17/h7-11,14-15,24H,12-13,16H2,1-6H3
InChIKeyMYISLWGQLLTYIH-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.91
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol

2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol (PubChem CID 24971004) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
PubChem CID24971004
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Name2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
SMILESCC1(c2cc([Si](C)(C)C(C)(C)C)c(O)cc2OCc2ccccc2)OCCO1
InChIInChI=1S/C23H32O4Si/c1-22(2,3)28(5,6)21-14-18(23(4)26-12-13-27-23)20(15-19(21)24)25-16-17-10-8-7-9-11-17/h7-11,14-15,24H,12-13,16H2,1-6H3
InChIKeyMYISLWGQLLTYIH-UHFFFAOYSA-N
XLogP4.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one
CID 139664268
6-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-3-phenylmethoxycyclohexa-3,5-diene-1,2-dione
CID 24971005
2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol
CID 153336312
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611
[5-(1-adamantyl)-2-methoxy-4-phenylmethoxyphenyl]boronic acid
CID 67209081
6-[5-(1-adamantyl)-2-methyl-4-phenylmethoxyphenyl]selanylpyridine-3-carboxylic acid
CID 10673818
4-(1-adamantyl)-3-phenylmethoxybenzoyl chloride
CID 139908702
2,2-dimethyl-1-(3,4,5-trihydroxyphenyl)propan-1-one;2,2-dimethyl-1-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-one
CID 158298213
4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
CID 57425044
1-(5-bromo-4-methoxy-2-phenylmethoxyphenyl)adamantane
CID 67209072
1-[4-[[4-(1-adamantyl)-3-phenylmethoxyphenyl]diselanyl]-2-phenylmethoxyphenyl]adamantane
CID 87929939

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol (CID 24971004) is 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol is CC1(c2cc([Si](C)(C)C(C)(C)C)c(O)cc2OCc2ccccc2)OCCO1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol?
The InChIKey is MYISLWGQLLTYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-22(2,3)28(5,6)21-14-18(23(4)26-12-13-27-23)20(15-19(21)24)25-16-17-10-8-7-9-11-17/h7-11,14-15,24H,12-13,16H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol?
2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol has a molecular weight of 400.59 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol is sourced from PubChem (CID 24971004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).