4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane

C22H29ClSi — CID 54423805

IUPAC4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(CCc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H29ClSi/c1-2-15-24-16-13-19(14-17-24)4-3-18-5-7-20(8-6-18)21-9-11-22(23)12-10-21/h5-12,19,24H,2-4,13-17H2,1H3
InChIKeyWCQJLJQUFMYKAK-UHFFFAOYSA-N
MW357.01 g/mol
LogP6.99
Rot. Bonds6

About 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane

4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane (PubChem CID 54423805) has the molecular formula C22H29ClSi and a molecular weight of 357.01 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane
PubChem CID54423805
Molecular FormulaC22H29ClSi
Molecular Weight357.01 g/mol
Exact Mass356.17
IUPAC Name4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane
SMILESCCC[SiH]1CCC(CCc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H29ClSi/c1-2-15-24-16-13-19(14-17-24)4-3-18-5-7-20(8-6-18)21-9-11-22(23)12-10-21/h5-12,19,24H,2-4,13-17H2,1H3
InChIKeyWCQJLJQUFMYKAK-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.01
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
4-[2-(4-ethylphenyl)ethyl]-1-methylsilinane
CID 174398139
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane
CID 22867208

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane (CID 54423805) is 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane is CCC[SiH]1CCC(CCc2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane?
The InChIKey is WCQJLJQUFMYKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClSi/c1-2-15-24-16-13-19(14-17-24)4-3-18-5-7-20(8-6-18)21-9-11-22(23)12-10-21/h5-12,19,24H,2-4,13-17H2,1H3.
What are the key properties of 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane?
4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane has a molecular weight of 357.01 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)phenyl]ethyl]-1-propylsilinane is sourced from PubChem (CID 54423805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).