1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene

C26H24Cl2 — CID 15526799

IUPAC1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C/C(/C=C(/Cl)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24Cl2/c1-18-4-10-21(11-5-18)24(16-25(27)22-12-6-19(2)7-13-22)17-26(28)23-14-8-20(3)9-15-23/h4-17,24H,1-3H3/b25-16-,26-17+
InChIKeyOECCELCNWLDNBO-UXRUFTSHSA-N
MW407.38 g/mol
LogP8.26
Rot. Bonds5

About 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene

1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene (PubChem CID 15526799) has the molecular formula C26H24Cl2 and a molecular weight of 407.38 g/mol. Its IUPAC name is 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene
PubChem CID15526799
Molecular FormulaC26H24Cl2
Molecular Weight407.38 g/mol
Exact Mass406.13
IUPAC Name1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene
SMILESCc1ccc(/C(Cl)=C/C(/C=C(/Cl)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24Cl2/c1-18-4-10-21(11-5-18)24(16-25(27)22-12-6-19(2)7-13-22)17-26(28)23-14-8-20(3)9-15-23/h4-17,24H,1-3H3/b25-16-,26-17+
InChIKeyOECCELCNWLDNBO-UXRUFTSHSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.38
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
CID 74928285
1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene
CID 134904653
(E)-3-chloro-3-(4-methylphenyl)prop-2-enal
CID 11412730
2-(4-methylphenyl)propanedial
CID 2736930
1-[(E)-2,3-dichloro-1,4,4-tris(4-methylphenyl)but-2-enyl]-4-methylbenzene
CID 134884797
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
[(E)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-dimethylazanium
CID 93012319
1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
CID 54597344
N-(2,2-dichloroethenyl)-4-methylbenzamide
CID 651612
4-methylbenzoyl chloride
CID 13405
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
2-(4-methylphenyl)propanoyl chloride
CID 14946079

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene?
The IUPAC name of 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene (CID 15526799) is 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene?
The canonical SMILES for 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene is Cc1ccc(/C(Cl)=C/C(/C=C(/Cl)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene?
The InChIKey is OECCELCNWLDNBO-UXRUFTSHSA-N. The full InChI is InChI=1S/C26H24Cl2/c1-18-4-10-21(11-5-18)24(16-25(27)22-12-6-19(2)7-13-22)17-26(28)23-14-8-20(3)9-15-23/h4-17,24H,1-3H3/b25-16-,26-17+.
What are the key properties of 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene?
1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene has a molecular weight of 407.38 g/mol, XLogP of 8.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene is sourced from PubChem (CID 15526799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).