1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene

C19H19Cl — CID 72540254

IUPAC1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
SMILESCC(C)c1ccc(C=CC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19Cl/c1-15(2)18-11-7-16(8-12-18)5-3-4-6-17-9-13-19(20)14-10-17/h3-15H,1-2H3
InChIKeyYMSFYOFUXLAGCW-UHFFFAOYSA-N
MW282.81 g/mol
LogP6.19
Rot. Bonds4

About 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene

1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene (PubChem CID 72540254) has the molecular formula C19H19Cl and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
PubChem CID72540254
Molecular FormulaC19H19Cl
Molecular Weight282.81 g/mol
Exact Mass282.12
IUPAC Name1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
SMILESCC(C)c1ccc(C=CC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19Cl/c1-15(2)18-11-7-16(8-12-18)5-3-4-6-17-9-13-19(20)14-10-17/h3-15H,1-2H3
InChIKeyYMSFYOFUXLAGCW-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.81
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-(6-methylhepta-1,3,5-trienyl)-4-propan-2-ylbenzene
CID 123372314
1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene
CID 73211746
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
1-methyl-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium
CID 129309736
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene?
The IUPAC name of 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene (CID 72540254) is 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene is CC(C)c1ccc(C=CC=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene?
The InChIKey is YMSFYOFUXLAGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl/c1-15(2)18-11-7-16(8-12-18)5-3-4-6-17-9-13-19(20)14-10-17/h3-15H,1-2H3.
What are the key properties of 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene?
1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene has a molecular weight of 282.81 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene is sourced from PubChem (CID 72540254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).