2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol

C30H36ClNO2Si — CID 18373251

IUPAC2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCc1c(CCO)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36ClNO2Si/c1-30(2,3)35(4,5)34-21-28-25(18-19-33)26-20-24(31)16-17-27(26)32(28)29(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,20,29,33H,18-19,21H2,1-5H3
InChIKeyNCWXXGVYTUEPJK-UHFFFAOYSA-N
MW506.16 g/mol
LogP7.99
Rot. Bonds8

About 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol

2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol (PubChem CID 18373251) has the molecular formula C30H36ClNO2Si and a molecular weight of 506.16 g/mol. Its IUPAC name is 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol
PubChem CID18373251
Molecular FormulaC30H36ClNO2Si
Molecular Weight506.16 g/mol
Exact Mass505.22
IUPAC Name2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCc1c(CCO)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36ClNO2Si/c1-30(2,3)35(4,5)34-21-28-25(18-19-33)26-20-24(31)16-17-27(26)32(28)29(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,20,29,33H,18-19,21H2,1-5H3
InChIKeyNCWXXGVYTUEPJK-UHFFFAOYSA-N
XLogP7.99
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.16
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol?
The IUPAC name of 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol (CID 18373251) is 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol.
What is the SMILES notation for 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol?
The canonical SMILES for 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol is CC(C)(C)[Si](C)(C)OCc1c(CCO)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol?
The InChIKey is NCWXXGVYTUEPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClNO2Si/c1-30(2,3)35(4,5)34-21-28-25(18-19-33)26-20-24(31)16-17-27(26)32(28)29(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-17,20,29,33H,18-19,21H2,1-5H3.
What are the key properties of 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol?
2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol has a molecular weight of 506.16 g/mol, XLogP of 7.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzhydryl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chloroindol-3-yl]ethanol is sourced from PubChem (CID 18373251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).