[2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane

C19H24BrClOSi — CID 71680631

IUPAC[2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane
SMILESCCc1ccc(Cc2cc(Br)c(CO[Si](C)(C)C)cc2Cl)cc1
InChIInChI=1S/C19H24BrClOSi/c1-5-14-6-8-15(9-7-14)10-16-11-18(20)17(12-19(16)21)13-22-23(2,3)4/h6-9,11-12H,5,10,13H2,1-4H3
InChIKeyIVYPHRPVRYZSED-UHFFFAOYSA-N
MW411.84 g/mol
LogP6.61
Rot. Bonds6

About [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane

[2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane (PubChem CID 71680631) has the molecular formula C19H24BrClOSi and a molecular weight of 411.84 g/mol. Its IUPAC name is [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane.

Molecular Properties

Compound Name[2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane
PubChem CID71680631
Molecular FormulaC19H24BrClOSi
Molecular Weight411.84 g/mol
Exact Mass410.05
IUPAC Name[2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane
SMILESCCc1ccc(Cc2cc(Br)c(CO[Si](C)(C)C)cc2Cl)cc1
InChIInChI=1S/C19H24BrClOSi/c1-5-14-6-8-15(9-7-14)10-16-11-18(20)17(12-19(16)21)13-22-23(2,3)4/h6-9,11-12H,5,10,13H2,1-4H3
InChIKeyIVYPHRPVRYZSED-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.84
LogP ≤ 56.61
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

1-bromo-2-(bromomethyl)-4-chloro-5-[(4-ethoxyphenyl)methyl]benzene
CID 59557690
1-bromo-5-[(4-tert-butylphenyl)methyl]-4-chloro-2-(methoxymethoxymethyl)benzene
CID 68794592
1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-propan-2-yloxybenzene;ethane
CID 143739328
(4-chlorophenyl)methoxy-trimethylsilane
CID 580476
methyl 2-bromo-5-chloro-4-[(4-ethoxyphenyl)methyl]benzoate
CID 89453336
1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
CID 59243503
1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-methylsulfanylbenzene
CID 143739419
1-bromo-4-chloro-5-[(4-ethoxyphenyl)methyl]-2-prop-2-enoxybenzene
CID 86728582
alumane;1,4-diethylbenzene
CID 174296012
1-bromo-5-cyclobutyloxy-2-[(4-ethylphenyl)methyl]-4-iodobenzene
CID 69260330
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
3,5-dibromo-4-[(4-ethylphenyl)methoxy]aniline
CID 63404203

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane?
The IUPAC name of [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane (CID 71680631) is [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane.
What is the SMILES notation for [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane?
The canonical SMILES for [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane is CCc1ccc(Cc2cc(Br)c(CO[Si](C)(C)C)cc2Cl)cc1.
What is the InChIKey of [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane?
The InChIKey is IVYPHRPVRYZSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrClOSi/c1-5-14-6-8-15(9-7-14)10-16-11-18(20)17(12-19(16)21)13-22-23(2,3)4/h6-9,11-12H,5,10,13H2,1-4H3.
What are the key properties of [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane?
[2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane has a molecular weight of 411.84 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-chloro-4-[(4-ethylphenyl)methyl]phenyl]methoxy-trimethylsilane is sourced from PubChem (CID 71680631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).