1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene

C22H18Cl2O — CID 164901767

IUPAC1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
SMILESClCCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18Cl2O/c23-15-16-25-20-13-11-18(12-14-20)21(17-7-3-1-4-8-17)22(24)19-9-5-2-6-10-19/h1-14H,15-16H2/b22-21+
InChIKeyUWRMGGWAVBMGAW-QURGRASLSA-N
MW369.29 g/mol
LogP6.46
Rot. Bonds6

About 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene

1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene (PubChem CID 164901767) has the molecular formula C22H18Cl2O and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
PubChem CID164901767
Molecular FormulaC22H18Cl2O
Molecular Weight369.29 g/mol
Exact Mass368.07
IUPAC Name1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
SMILESClCCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18Cl2O/c23-15-16-25-20-13-11-18(12-14-20)21(17-7-3-1-4-8-17)22(24)19-9-5-2-6-10-19/h1-14H,15-16H2/b22-21+
InChIKeyUWRMGGWAVBMGAW-QURGRASLSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.29
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene
CID 21469834
aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium
CID 164901741
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
4-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-dipropylbutan-1-amine
CID 85451941
9-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylnonan-1-amine
CID 54293078
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
1-[4-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]butyl]piperidine
CID 21469785
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 66591459
1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
CID 132516293
3-[(Z)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
CID 71494458
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene?
The IUPAC name of 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene (CID 164901767) is 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene.
What is the SMILES notation for 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene?
The canonical SMILES for 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene is ClCCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene?
The InChIKey is UWRMGGWAVBMGAW-QURGRASLSA-N. The full InChI is InChI=1S/C22H18Cl2O/c23-15-16-25-20-13-11-18(12-14-20)21(17-7-3-1-4-8-17)22(24)19-9-5-2-6-10-19/h1-14H,15-16H2/b22-21+.
What are the key properties of 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene?
1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene has a molecular weight of 369.29 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene is sourced from PubChem (CID 164901767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).