[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane

C20H27BrOSi — CID 59167851

IUPAC[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane
SMILESCc1ccc(Br)cc1Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H27BrOSi/c1-15-7-10-18(21)14-17(15)13-16-8-11-19(12-9-16)22-23(5,6)20(2,3)4/h7-12,14H,13H2,1-6H3
InChIKeyOMKJMECBESXAPB-UHFFFAOYSA-N
MW391.43 g/mol
LogP6.73
Rot. Bonds4

About [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane

[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane (PubChem CID 59167851) has the molecular formula C20H27BrOSi and a molecular weight of 391.43 g/mol. Its IUPAC name is [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane
PubChem CID59167851
Molecular FormulaC20H27BrOSi
Molecular Weight391.43 g/mol
Exact Mass390.10
IUPAC Name[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane
SMILESCc1ccc(Br)cc1Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H27BrOSi/c1-15-7-10-18(21)14-17(15)13-16-8-11-19(12-9-16)22-23(5,6)20(2,3)4/h7-12,14H,13H2,1-6H3
InChIKeyOMKJMECBESXAPB-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 143419840
CID 143419840
4-bromo-2-[(4-butoxyphenyl)methyl]-1-methylbenzene
CID 90183082
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
tert-butyl-[4-[2-(3,4-dimethylphenyl)ethynyl]phenoxy]-dimethylsilane
CID 102148278
(3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 163980748
(3R,5R,6R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 143282407
[2-[(3-bromophenyl)methyl]-5-methoxyphenoxy]-tert-butyl-dimethylsilane
CID 140869039
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
[4-[(E)-2-(5-bromo-3-methyl-2-pyridinyl)ethenyl]phenoxy]-tert-butyl-dimethylsilane
CID 101253258
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane (CID 59167851) is [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane is Cc1ccc(Br)cc1Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is OMKJMECBESXAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrOSi/c1-15-7-10-18(21)14-17(15)13-16-8-11-19(12-9-16)22-23(5,6)20(2,3)4/h7-12,14H,13H2,1-6H3.
What are the key properties of [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane?
[4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 391.43 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-2-methylphenyl)methyl]phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 59167851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).