(4-chloro-3-methoxyphenyl)-triethoxysilane

C13H21ClO4Si — CID 146004927

IUPAC(4-chloro-3-methoxyphenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H21ClO4Si/c1-5-16-19(17-6-2,18-7-3)11-8-9-12(14)13(10-11)15-4/h8-10H,5-7H2,1-4H3
InChIKeyUBECUZIOFULWII-UHFFFAOYSA-N
MW304.85 g/mol
LogP2.60
Rot. Bonds8

About (4-chloro-3-methoxyphenyl)-triethoxysilane

(4-chloro-3-methoxyphenyl)-triethoxysilane (PubChem CID 146004927) has the molecular formula C13H21ClO4Si and a molecular weight of 304.85 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-triethoxysilane.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-triethoxysilane
PubChem CID146004927
Molecular FormulaC13H21ClO4Si
Molecular Weight304.85 g/mol
Exact Mass304.09
IUPAC Name(4-chloro-3-methoxyphenyl)-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H21ClO4Si/c1-5-16-19(17-6-2,18-7-3)11-8-9-12(14)13(10-11)15-4/h8-10H,5-7H2,1-4H3
InChIKeyUBECUZIOFULWII-UHFFFAOYSA-N
XLogP2.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-(4-fluoro-3-methoxyphenyl)silane
CID 146005006
triethoxy-(8-triethoxysilylthianthren-2-yl)silane
CID 71116866
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
triethoxy-[4-[(E)-2-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]silane
CID 59348783
bis(1-chloro-2-methoxy-4-methylbenzene);ethene;propane
CID 158628534
(4-tert-butylphenyl)-triethoxysilane
CID 146004905
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
(4,5-dimethoxy-2-methylphenyl)-triethoxysilane
CID 59566613
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
CID 167799715

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-triethoxysilane?
The IUPAC name of (4-chloro-3-methoxyphenyl)-triethoxysilane (CID 146004927) is (4-chloro-3-methoxyphenyl)-triethoxysilane.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-triethoxysilane?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-triethoxysilane is CCO[Si](OCC)(OCC)c1ccc(Cl)c(OC)c1.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-triethoxysilane?
The InChIKey is UBECUZIOFULWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO4Si/c1-5-16-19(17-6-2,18-7-3)11-8-9-12(14)13(10-11)15-4/h8-10H,5-7H2,1-4H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-triethoxysilane?
(4-chloro-3-methoxyphenyl)-triethoxysilane has a molecular weight of 304.85 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-triethoxysilane is sourced from PubChem (CID 146004927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).