4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane

C20H25FOSi — CID 123190517

IUPAC4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane
SMILESCO[SiH]1CCC(CCc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H25FOSi/c1-22-23-14-12-17(13-15-23)3-2-16-4-6-18(7-5-16)19-8-10-20(21)11-9-19/h4-11,17,23H,2-3,12-15H2,1H3
InChIKeyBHQDWELSYJVHCZ-UHFFFAOYSA-N
MW328.50 g/mol
LogP5.21
Rot. Bonds5

About 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane

4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane (PubChem CID 123190517) has the molecular formula C20H25FOSi and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane
PubChem CID123190517
Molecular FormulaC20H25FOSi
Molecular Weight328.50 g/mol
Exact Mass328.17
IUPAC Name4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane
SMILESCO[SiH]1CCC(CCc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H25FOSi/c1-22-23-14-12-17(13-15-23)3-2-16-4-6-18(7-5-16)19-8-10-20(21)11-9-19/h4-11,17,23H,2-3,12-15H2,1H3
InChIKeyBHQDWELSYJVHCZ-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.21
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

4-[4-(4-fluorophenyl)phenyl]-1-methoxysilinane
CID 123941508
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687
2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane
CID 18997842
CID 23364708
CID 23364708
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-1-(2-methylpropyl)silinane
CID 54111665
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane
CID 54423805
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
CID 57241034

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane (CID 123190517) is 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane is CO[SiH]1CCC(CCc2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane?
The InChIKey is BHQDWELSYJVHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FOSi/c1-22-23-14-12-17(13-15-23)3-2-16-4-6-18(7-5-16)19-8-10-20(21)11-9-19/h4-11,17,23H,2-3,12-15H2,1H3.
What are the key properties of 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane?
4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane has a molecular weight of 328.50 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)phenyl]ethyl]-1-methoxysilinane is sourced from PubChem (CID 123190517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).