1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene

C18H19ClSe — CID 11337041

IUPAC1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene
SMILESCCCC/C=C(/[Se]c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClSe/c1-2-3-5-10-18(15-11-13-16(19)14-12-15)20-17-8-6-4-7-9-17/h4,6-14H,2-3,5H2,1H3/b18-10+
InChIKeyNZQAARYGFLOXIS-VCHYOVAHSA-N
MW349.76 g/mol
LogP4.90
Rot. Bonds6

About 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene

1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene (PubChem CID 11337041) has the molecular formula C18H19ClSe and a molecular weight of 349.76 g/mol. Its IUPAC name is 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene
PubChem CID11337041
Molecular FormulaC18H19ClSe
Molecular Weight349.76 g/mol
Exact Mass350.03
IUPAC Name1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene
SMILESCCCC/C=C(/[Se]c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClSe/c1-2-3-5-10-18(15-11-13-16(19)14-12-15)20-17-8-6-4-7-9-17/h4,6-14H,2-3,5H2,1H3/b18-10+
InChIKeyNZQAARYGFLOXIS-VCHYOVAHSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.76
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495
[(E)-non-3-en-3-yl]selanylbenzene
CID 102123205
(4-chlorophenyl)-phenylselanylmethanethione
CID 14249100
(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine
CID 101356618
[(Z)-dodec-5-en-5-yl]selanylbenzene
CID 134921010
Se-(4-chlorophenyl) (E)-hept-2-eneselenoate
CID 10614263
[(Z)-1-phenylselanyloct-2-en-2-yl]selanylbenzene
CID 54763336
(E)-3-phenylselanylnon-3-en-2-ol
CID 177482201
tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
CID 15314212
(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one
CID 139265077
1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene
CID 134932145
butan-1-ol;chlorobenzene;hydrate
CID 174932999

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene (CID 11337041) is 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene is CCCC/C=C(/[Se]c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene?
The InChIKey is NZQAARYGFLOXIS-VCHYOVAHSA-N. The full InChI is InChI=1S/C18H19ClSe/c1-2-3-5-10-18(15-11-13-16(19)14-12-15)20-17-8-6-4-7-9-17/h4,6-14H,2-3,5H2,1H3/b18-10+.
What are the key properties of 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene?
1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene has a molecular weight of 349.76 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene is sourced from PubChem (CID 11337041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).