1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene

C20H23Cl — CID 101104759

IUPAC1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene
SMILESCCCCCC/C(=C/c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H23Cl/c1-2-3-4-8-13-18(16-17-11-6-5-7-12-17)19-14-9-10-15-20(19)21/h5-7,9-12,14-16H,2-4,8,13H2,1H3/b18-16-
InChIKeyOHXRAQBANXTXKV-VLGSPTGOSA-N
MW298.86 g/mol
LogP6.85
Rot. Bonds7

About 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene

1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene (PubChem CID 101104759) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene
PubChem CID101104759
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene
SMILESCCCCCC/C(=C/c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H23Cl/c1-2-3-4-8-13-18(16-17-11-6-5-7-12-17)19-14-9-10-15-20(19)21/h5-7,9-12,14-16H,2-4,8,13H2,1H3/b18-16-
InChIKeyOHXRAQBANXTXKV-VLGSPTGOSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
2-(chloromethyl)oct-1-enylbenzene
CID 69226716
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
3-(1-phenylicos-1-en-2-yl)furan-2,5-dione
CID 175787313
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
(2E)-2-benzylideneheptanoic acid
CID 14318164
2-benzylideneicosanamide
CID 167436455
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917
[(Z)-2-ethoxynon-1-enyl]benzene
CID 134932446
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene?
The IUPAC name of 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene (CID 101104759) is 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene.
What is the SMILES notation for 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene?
The canonical SMILES for 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene is CCCCCC/C(=C/c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene?
The InChIKey is OHXRAQBANXTXKV-VLGSPTGOSA-N. The full InChI is InChI=1S/C20H23Cl/c1-2-3-4-8-13-18(16-17-11-6-5-7-12-17)19-14-9-10-15-20(19)21/h5-7,9-12,14-16H,2-4,8,13H2,1H3/b18-16-.
What are the key properties of 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene?
1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene has a molecular weight of 298.86 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene is sourced from PubChem (CID 101104759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).