[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane

C20H27BrO2Si — CID 140869039

IUPAC[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane
SMILESCOc1ccc(Cc2cccc(Br)c2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C20H27BrO2Si/c1-20(2,3)24(5,6)23-19-14-18(22-4)11-10-16(19)12-15-8-7-9-17(21)13-15/h7-11,13-14H,12H2,1-6H3
InChIKeyZDQSMRIPBURXKW-UHFFFAOYSA-N
MW407.42 g/mol
LogP6.43
Rot. Bonds5

About [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane

[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane (PubChem CID 140869039) has the molecular formula C20H27BrO2Si and a molecular weight of 407.42 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane
PubChem CID140869039
Molecular FormulaC20H27BrO2Si
Molecular Weight407.42 g/mol
Exact Mass406.10
IUPAC Name[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane
SMILESCOc1ccc(Cc2cccc(Br)c2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C20H27BrO2Si/c1-20(2,3)24(5,6)23-19-14-18(22-4)11-10-16(19)12-15-8-7-9-17(21)13-15/h7-11,13-14H,12H2,1-6H3
InChIKeyZDQSMRIPBURXKW-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane
CID 59167851
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
CID 154718984
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
CID 162535644
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
[2-[(3R,4S)-4-benzylsulfanyl-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane
CID 101110783
tert-butyl-(2-ethenyl-4-methoxyphenoxy)-dimethylsilane
CID 10945326

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane (CID 140869039) is [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane is COc1ccc(Cc2cccc(Br)c2)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane?
The InChIKey is ZDQSMRIPBURXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrO2Si/c1-20(2,3)24(5,6)23-19-14-18(22-4)11-10-16(19)12-15-8-7-9-17(21)13-15/h7-11,13-14H,12H2,1-6H3.
What are the key properties of [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane?
[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane has a molecular weight of 407.42 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 140869039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).