1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene

C22H18Cl2 — CID 122203276

IUPAC1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
SMILESCC(c1ccc(Cl)cc1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Cl2/c1-16(20-10-14-22(24)15-11-20)19-8-4-17(5-9-19)2-3-18-6-12-21(23)13-7-18/h2-16H,1H3/b3-2+
InChIKeyXHRJQLKALGALGN-NSCUHMNNSA-N
MW353.29 g/mol
LogP7.32
Rot. Bonds4

About 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene

1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene (PubChem CID 122203276) has the molecular formula C22H18Cl2 and a molecular weight of 353.29 g/mol. Its IUPAC name is 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
PubChem CID122203276
Molecular FormulaC22H18Cl2
Molecular Weight353.29 g/mol
Exact Mass352.08
IUPAC Name1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
SMILESCC(c1ccc(Cl)cc1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Cl2/c1-16(20-10-14-22(24)15-11-20)19-8-4-17(5-9-19)2-3-18-6-12-21(23)13-7-18/h2-16H,1H3/b3-2+
InChIKeyXHRJQLKALGALGN-NSCUHMNNSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.29
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 72540254
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CID 11425891
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
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4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
1-(4-chlorophenyl)ethaneselenol
CID 139265582
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
1-methyl-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium
CID 129309736
4-[1-(4-chlorophenyl)ethyl]benzonitrile
CID 77428758
1-chloro-4-(4-methylpent-1-enyl)benzene
CID 156766327

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene?
The IUPAC name of 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene (CID 122203276) is 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene?
The canonical SMILES for 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene is CC(c1ccc(Cl)cc1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene?
The InChIKey is XHRJQLKALGALGN-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H18Cl2/c1-16(20-10-14-22(24)15-11-20)19-8-4-17(5-9-19)2-3-18-6-12-21(23)13-7-18/h2-16H,1H3/b3-2+.
What are the key properties of 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene?
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene has a molecular weight of 353.29 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene is sourced from PubChem (CID 122203276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).