2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene

C18H14Cl4O — CID 141308545

IUPAC2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene
SMILESC=CCc1cc(Cl)cc(Oc2cc(Cl)cc(CC=C)c2Cl)c1Cl
InChIInChI=1S/C18H14Cl4O/c1-3-5-11-7-13(19)9-15(17(11)21)23-16-10-14(20)8-12(6-4-2)18(16)22/h3-4,7-10H,1-2,5-6H2
InChIKeyXXMDVBDCEHQXBH-UHFFFAOYSA-N
MW388.12 g/mol
LogP7.55
Rot. Bonds6

About 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene

2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene (PubChem CID 141308545) has the molecular formula C18H14Cl4O and a molecular weight of 388.12 g/mol. Its IUPAC name is 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene.

Molecular Properties

Compound Name2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene
PubChem CID141308545
Molecular FormulaC18H14Cl4O
Molecular Weight388.12 g/mol
Exact Mass385.98
IUPAC Name2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene
SMILESC=CCc1cc(Cl)cc(Oc2cc(Cl)cc(CC=C)c2Cl)c1Cl
InChIInChI=1S/C18H14Cl4O/c1-3-5-11-7-13(19)9-15(17(11)21)23-16-10-14(20)8-12(6-4-2)18(16)22/h3-4,7-10H,1-2,5-6H2
InChIKeyXXMDVBDCEHQXBH-UHFFFAOYSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.12
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
2-(4-chloro-2-prop-2-enylphenoxy)ethyl-dimethylazanium
CID 7413567
methyl 2-(4-chloro-2-prop-2-enylphenoxy)acetate
CID 69275051
[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol
CID 173437645
propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 70576307
4-nitro-1-(4-nitro-2-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 87648427
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
1,3-dichloro-2,4-bis(prop-2-enyl)benzene
CID 173196213
ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
3-chloro-4-prop-2-enylphenol
CID 70565458

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene?
The IUPAC name of 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene (CID 141308545) is 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene.
What is the SMILES notation for 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene?
The canonical SMILES for 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene is C=CCc1cc(Cl)cc(Oc2cc(Cl)cc(CC=C)c2Cl)c1Cl.
What is the InChIKey of 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene?
The InChIKey is XXMDVBDCEHQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl4O/c1-3-5-11-7-13(19)9-15(17(11)21)23-16-10-14(20)8-12(6-4-2)18(16)22/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene?
2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene has a molecular weight of 388.12 g/mol, XLogP of 7.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene is sourced from PubChem (CID 141308545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).