1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene

C25H24Cl2O — CID 21469834

IUPAC1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene
SMILESClCCCCCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24Cl2O/c26-18-8-3-9-19-28-23-16-14-21(15-17-23)24(20-10-4-1-5-11-20)25(27)22-12-6-2-7-13-22/h1-2,4-7,10-17H,3,8-9,18-19H2/b25-24-
InChIKeyHYHVMUHUVKYCMG-IZHYLOQSSA-N
MW411.37 g/mol
LogP7.63
Rot. Bonds9

About 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene

1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene (PubChem CID 21469834) has the molecular formula C25H24Cl2O and a molecular weight of 411.37 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene.

Molecular Properties

Compound Name1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene
PubChem CID21469834
Molecular FormulaC25H24Cl2O
Molecular Weight411.37 g/mol
Exact Mass410.12
IUPAC Name1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene
SMILESClCCCCCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24Cl2O/c26-18-8-3-9-19-28-23-16-14-21(15-17-23)24(20-10-4-1-5-11-20)25(27)22-12-6-2-7-13-22/h1-2,4-7,10-17H,3,8-9,18-19H2/b25-24-
InChIKeyHYHVMUHUVKYCMG-IZHYLOQSSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.37
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
CID 164901767
9-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylnonan-1-amine
CID 54293078
4-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-dipropylbutan-1-amine
CID 85451941
aminoazanide;2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]ethylazanide;yttrium
CID 164901741
1-[4-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]butyl]piperidine
CID 21469785
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
1-(6-chlorohexoxy)-4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]benzene
CID 67653312
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
3-[1-chloro-2-[4-[4-(diethylamino)butoxy]phenyl]-2-phenylethenyl]phenol
CID 54155366
4-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 131720338
1-bromo-4-[1-(4-octoxyphenyl)-2,2-diphenylethenyl]benzene
CID 134249125

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene?
The IUPAC name of 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene (CID 21469834) is 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene.
What is the SMILES notation for 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene?
The canonical SMILES for 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene is ClCCCCCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene?
The InChIKey is HYHVMUHUVKYCMG-IZHYLOQSSA-N. The full InChI is InChI=1S/C25H24Cl2O/c26-18-8-3-9-19-28-23-16-14-21(15-17-23)24(20-10-4-1-5-11-20)25(27)22-12-6-2-7-13-22/h1-2,4-7,10-17H,3,8-9,18-19H2/b25-24-.
What are the key properties of 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene?
1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene has a molecular weight of 411.37 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene is sourced from PubChem (CID 21469834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).