2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol

C28H40O4Si — CID 59127437

IUPAC2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol
SMILESCC(C)Cc1cc2c(CCO)coc2c(CO[Si](C)(C)C(C)(C)C)c1OCc1ccccc1
InChIInChI=1S/C28H40O4Si/c1-20(2)15-23-16-24-22(13-14-29)18-31-27(24)25(19-32-33(6,7)28(3,4)5)26(23)30-17-21-11-9-8-10-12-21/h8-12,16,18,20,29H,13-15,17,19H2,1-7H3
InChIKeyZKZGOWIXMFKADA-UHFFFAOYSA-N
MW468.71 g/mol
LogP7.27
Rot. Bonds10

About 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol

2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol (PubChem CID 59127437) has the molecular formula C28H40O4Si and a molecular weight of 468.71 g/mol. Its IUPAC name is 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol.

Molecular Properties

Compound Name2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol
PubChem CID59127437
Molecular FormulaC28H40O4Si
Molecular Weight468.71 g/mol
Exact Mass468.27
IUPAC Name2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol
SMILESCC(C)Cc1cc2c(CCO)coc2c(CO[Si](C)(C)C(C)(C)C)c1OCc1ccccc1
InChIInChI=1S/C28H40O4Si/c1-20(2)15-23-16-24-22(13-14-29)18-31-27(24)25(19-32-33(6,7)28(3,4)5)26(23)30-17-21-11-9-8-10-12-21/h8-12,16,18,20,29H,13-15,17,19H2,1-7H3
InChIKeyZKZGOWIXMFKADA-UHFFFAOYSA-N
XLogP7.27
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.71
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol?
The IUPAC name of 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol (CID 59127437) is 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol.
What is the SMILES notation for 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol?
The canonical SMILES for 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol is CC(C)Cc1cc2c(CCO)coc2c(CO[Si](C)(C)C(C)(C)C)c1OCc1ccccc1.
What is the InChIKey of 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol?
The InChIKey is ZKZGOWIXMFKADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O4Si/c1-20(2)15-23-16-24-22(13-14-29)18-31-27(24)25(19-32-33(6,7)28(3,4)5)26(23)30-17-21-11-9-8-10-12-21/h8-12,16,18,20,29H,13-15,17,19H2,1-7H3.
What are the key properties of 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol?
2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol has a molecular weight of 468.71 g/mol, XLogP of 7.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2-methylpropyl)-6-phenylmethoxy-1-benzofuran-3-yl]ethanol is sourced from PubChem (CID 59127437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).