[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane

C17H21BrO5Si — CID 59244002

IUPAC[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane
SMILESCOc1cccc(COc2c(Br)cccc2[Si](OC)(OC)OC)c1
InChIInChI=1S/C17H21BrO5Si/c1-19-14-8-5-7-13(11-14)12-23-17-15(18)9-6-10-16(17)24(20-2,21-3)22-4/h5-11H,12H2,1-4H3
InChIKeyWQQREEJDCJGPBW-UHFFFAOYSA-N
MW413.34 g/mol
LogP3.12
Rot. Bonds8

About [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane

[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane (PubChem CID 59244002) has the molecular formula C17H21BrO5Si and a molecular weight of 413.34 g/mol. Its IUPAC name is [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane.

Molecular Properties

Compound Name[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane
PubChem CID59244002
Molecular FormulaC17H21BrO5Si
Molecular Weight413.34 g/mol
Exact Mass412.03
IUPAC Name[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane
SMILESCOc1cccc(COc2c(Br)cccc2[Si](OC)(OC)OC)c1
InChIInChI=1S/C17H21BrO5Si/c1-19-14-8-5-7-13(11-14)12-23-17-15(18)9-6-10-16(17)24(20-2,21-3)22-4/h5-11H,12H2,1-4H3
InChIKeyWQQREEJDCJGPBW-UHFFFAOYSA-N
XLogP3.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 61391310
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
CID 80914039
4-chloro-6-[(3-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
CID 80868697
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 114675867
2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline
CID 55036946
1-[3-amino-5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanone
CID 116541394
4-methoxy-6-[(3-methoxyphenyl)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80868535

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane?
The IUPAC name of [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane (CID 59244002) is [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane.
What is the SMILES notation for [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane?
The canonical SMILES for [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane is COc1cccc(COc2c(Br)cccc2[Si](OC)(OC)OC)c1.
What is the InChIKey of [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane?
The InChIKey is WQQREEJDCJGPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrO5Si/c1-19-14-8-5-7-13(11-14)12-23-17-15(18)9-6-10-16(17)24(20-2,21-3)22-4/h5-11H,12H2,1-4H3.
What are the key properties of [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane?
[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane has a molecular weight of 413.34 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane is sourced from PubChem (CID 59244002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).