2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene

C19H18Cl2O2 — CID 11530376

IUPAC2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene
SMILESC=CC(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC
InChIInChI=1S/C19H18Cl2O2/c1-4-13(5-6-14-7-8-15(20)11-18(14)21)17-10-9-16(22-2)12-19(17)23-3/h4-13H,1H2,2-3H3/b6-5+
InChIKeyHBASQMTVTYRDLA-AATRIKPKSA-N
MW349.26 g/mol
LogP5.99
Rot. Bonds6

About 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene

2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene (PubChem CID 11530376) has the molecular formula C19H18Cl2O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene
PubChem CID11530376
Molecular FormulaC19H18Cl2O2
Molecular Weight349.26 g/mol
Exact Mass348.07
IUPAC Name2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene
SMILESC=CC(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC
InChIInChI=1S/C19H18Cl2O2/c1-4-13(5-6-14-7-8-15(20)11-18(14)21)17-10-9-16(22-2)12-19(17)23-3/h4-13H,1H2,2-3H3/b6-5+
InChIKeyHBASQMTVTYRDLA-AATRIKPKSA-N
XLogP5.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792
3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one
CID 11545094
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43093470
2-(2,4-dimethoxyphenyl)propanedial
CID 98587471
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
CID 103514415
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 105000664
1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol
CID 11667808
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene (CID 11530376) is 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene is C=CC(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene?
The InChIKey is HBASQMTVTYRDLA-AATRIKPKSA-N. The full InChI is InChI=1S/C19H18Cl2O2/c1-4-13(5-6-14-7-8-15(20)11-18(14)21)17-10-9-16(22-2)12-19(17)23-3/h4-13H,1H2,2-3H3/b6-5+.
What are the key properties of 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene?
2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene has a molecular weight of 349.26 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene is sourced from PubChem (CID 11530376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).