1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol

C25H32O3Si — CID 57259502

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol
SMILESCC(O)(O[Si](C)(C)C(C)(C)C)c1ccccc1OCc1ccc2ccccc2c1
InChIInChI=1S/C25H32O3Si/c1-24(2,3)29(5,6)28-25(4,26)22-13-9-10-14-23(22)27-18-19-15-16-20-11-7-8-12-21(20)17-19/h7-17,26H,18H2,1-6H3
InChIKeyIJBKGQJQUHXPAC-UHFFFAOYSA-N
MW408.61 g/mol
LogP6.61
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol

1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol (PubChem CID 57259502) has the molecular formula C25H32O3Si and a molecular weight of 408.61 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol
PubChem CID57259502
Molecular FormulaC25H32O3Si
Molecular Weight408.61 g/mol
Exact Mass408.21
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol
SMILESCC(O)(O[Si](C)(C)C(C)(C)C)c1ccccc1OCc1ccc2ccccc2c1
InChIInChI=1S/C25H32O3Si/c1-24(2,3)29(5,6)28-25(4,26)22-13-9-10-14-23(22)27-18-19-15-16-20-11-7-8-12-21(20)17-19/h7-17,26H,18H2,1-6H3
InChIKeyIJBKGQJQUHXPAC-UHFFFAOYSA-N
XLogP6.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.61
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
CID 139627675
3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol
CID 19761524
tert-butyl-[(E)-4-iodo-3-(naphthalen-2-ylmethyl)but-3-en-2-yl]oxy-dimethylsilane
CID 87181942
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(naphthalen-2-ylmethoxy)phenyl]urea
CID 68531646

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol (CID 57259502) is 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol is CC(O)(O[Si](C)(C)C(C)(C)C)c1ccccc1OCc1ccc2ccccc2c1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol?
The InChIKey is IJBKGQJQUHXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O3Si/c1-24(2,3)29(5,6)28-25(4,26)22-13-9-10-14-23(22)27-18-19-15-16-20-11-7-8-12-21(20)17-19/h7-17,26H,18H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol?
1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol has a molecular weight of 408.61 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-1-[2-(naphthalen-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 57259502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).