dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane

C16H18Cl2O2Si — CID 139667876

IUPACdichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane
SMILESCOc1ccc(CC[Si](Cl)(Cl)c2ccccc2)cc1OC
InChIInChI=1S/C16H18Cl2O2Si/c1-19-15-9-8-13(12-16(15)20-2)10-11-21(17,18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyRJNORDBPAZBBJU-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.07
Rot. Bonds6

About dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane

dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane (PubChem CID 139667876) has the molecular formula C16H18Cl2O2Si and a molecular weight of 341.31 g/mol. Its IUPAC name is dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane.

Molecular Properties

Compound Namedichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane
PubChem CID139667876
Molecular FormulaC16H18Cl2O2Si
Molecular Weight341.31 g/mol
Exact Mass340.05
IUPAC Namedichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane
SMILESCOc1ccc(CC[Si](Cl)(Cl)c2ccccc2)cc1OC
InChIInChI=1S/C16H18Cl2O2Si/c1-19-15-9-8-13(12-16(15)20-2)10-11-21(17,18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyRJNORDBPAZBBJU-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848
2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
CID 121004210
1,2-dimethoxy-4-pent-3-ynylbenzene
CID 54333126
3-(3,4-dimethoxyphenyl)propyl-triphenylphosphanium iodide
CID 10940771
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351

Frequently Asked Questions

What is the IUPAC name of dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane?
The IUPAC name of dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane (CID 139667876) is dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane.
What is the SMILES notation for dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane?
The canonical SMILES for dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane is COc1ccc(CC[Si](Cl)(Cl)c2ccccc2)cc1OC.
What is the InChIKey of dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane?
The InChIKey is RJNORDBPAZBBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2O2Si/c1-19-15-9-8-13(12-16(15)20-2)10-11-21(17,18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane?
dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane has a molecular weight of 341.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[2-(3,4-dimethoxyphenyl)ethyl]-phenylsilane is sourced from PubChem (CID 139667876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).