2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol

C22H30O5Si — CID 153336312

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol
SMILESCOc1cc(OCc2ccccc2)cc(O)c1C1(O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C22H30O5Si/c1-21(2,3)28(5,6)27-22(15-26-22)20-18(23)12-17(13-19(20)24-4)25-14-16-10-8-7-9-11-16/h7-13,23H,14-15H2,1-6H3
InChIKeyBFQPGEBNAQOASD-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.18
Rot. Bonds7

About 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol

2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol (PubChem CID 153336312) has the molecular formula C22H30O5Si and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol
PubChem CID153336312
Molecular FormulaC22H30O5Si
Molecular Weight402.56 g/mol
Exact Mass402.19
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol
SMILESCOc1cc(OCc2ccccc2)cc(O)c1C1(O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C22H30O5Si/c1-21(2,3)28(5,6)27-22(15-26-22)20-18(23)12-17(13-19(20)24-4)25-14-16-10-8-7-9-11-16/h7-13,23H,14-15H2,1-6H3
InChIKeyBFQPGEBNAQOASD-UHFFFAOYSA-N
XLogP5.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 89404905
tert-butyl-[4-[3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 123893519
[3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-5-phenylmethoxyphenyl] trifluoromethanesulfonate
CID 11858935
CID 123516675
CID 123516675
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
2-[tert-butyl(dimethyl)silyl]-4-(2-methyl-1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
CID 24971004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol (CID 153336312) is 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol is COc1cc(OCc2ccccc2)cc(O)c1C1(O[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol?
The InChIKey is BFQPGEBNAQOASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O5Si/c1-21(2,3)28(5,6)27-22(15-26-22)20-18(23)12-17(13-19(20)24-4)25-14-16-10-8-7-9-11-16/h7-13,23H,14-15H2,1-6H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol?
2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol has a molecular weight of 402.56 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyoxiran-2-yl]-3-methoxy-5-phenylmethoxyphenol is sourced from PubChem (CID 153336312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).