1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene

C23H27Cl — CID 155934470

IUPAC1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene
SMILESC=C[C@H](CCC)/C(=C/CCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C23H27Cl/c1-3-11-20(4-2)23(21-15-10-16-22(24)18-21)17-9-8-14-19-12-6-5-7-13-19/h4-7,10,12-13,15-18,20H,2-3,8-9,11,14H2,1H3/b23-17-/t20-/m1/s1
InChIKeyMFKVJYJAPQYPPG-AKWGVZKHSA-N
MW338.92 g/mol
LogP7.35
Rot. Bonds9

About 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene

1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene (PubChem CID 155934470) has the molecular formula C23H27Cl and a molecular weight of 338.92 g/mol. Its IUPAC name is 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene
PubChem CID155934470
Molecular FormulaC23H27Cl
Molecular Weight338.92 g/mol
Exact Mass338.18
IUPAC Name1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene
SMILESC=C[C@H](CCC)/C(=C/CCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C23H27Cl/c1-3-11-20(4-2)23(21-15-10-16-22(24)18-21)17-9-8-14-19-12-6-5-7-13-19/h4-7,10,12-13,15-18,20H,2-3,8-9,11,14H2,1H3/b23-17-/t20-/m1/s1
InChIKeyMFKVJYJAPQYPPG-AKWGVZKHSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.92
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene?
The IUPAC name of 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene (CID 155934470) is 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene.
What is the SMILES notation for 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene?
The canonical SMILES for 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene is C=C[C@H](CCC)/C(=C/CCCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene?
The InChIKey is MFKVJYJAPQYPPG-AKWGVZKHSA-N. The full InChI is InChI=1S/C23H27Cl/c1-3-11-20(4-2)23(21-15-10-16-22(24)18-21)17-9-8-14-19-12-6-5-7-13-19/h4-7,10,12-13,15-18,20H,2-3,8-9,11,14H2,1H3/b23-17-/t20-/m1/s1.
What are the key properties of 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene?
1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene has a molecular weight of 338.92 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(Z,6S)-6-ethenyl-1-phenylnon-4-en-5-yl]benzene is sourced from PubChem (CID 155934470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).