1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene

C18H19Cl — CID 71056346

IUPAC1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
SMILESC/C=C\CCCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19Cl/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h2-3,7-14H,4-6H2,1H3/b3-2-
InChIKeyZEZQALPKJMWEBK-IHWYPQMZSA-N
MW270.80 g/mol
LogP5.91
Rot. Bonds5

About 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene

1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene (PubChem CID 71056346) has the molecular formula C18H19Cl and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
PubChem CID71056346
Molecular FormulaC18H19Cl
Molecular Weight270.80 g/mol
Exact Mass270.12
IUPAC Name1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
SMILESC/C=C\CCCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19Cl/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h2-3,7-14H,4-6H2,1H3/b3-2-
InChIKeyZEZQALPKJMWEBK-IHWYPQMZSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.80
LogP ≤ 55.91
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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Related Compounds

1-hex-4-enyl-4-phenylbenzene
CID 174423294
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
4-hept-5-enylphenol
CID 66787200
3-[4-(4-chlorophenyl)phenyl]propyl-dimethylazanium chloride
CID 10757305
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139743480
6-(4-chlorophenyl)hex-2-enyl formate
CID 90984079
1-chloro-4-[2-(4-pent-4-enylphenyl)ethynyl]benzene
CID 139750869
[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid
CID 144534534
1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2-fluoro-4-hex-4-enylbenzene
CID 54000160

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene (CID 71056346) is 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene is C/C=C\CCCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene?
The InChIKey is ZEZQALPKJMWEBK-IHWYPQMZSA-N. The full InChI is InChI=1S/C18H19Cl/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h2-3,7-14H,4-6H2,1H3/b3-2-.
What are the key properties of 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene?
1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene has a molecular weight of 270.80 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene is sourced from PubChem (CID 71056346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).