1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene

C17H16Cl2O2 — CID 3541272

IUPAC1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene
SMILESCCOc1ccccc1C=Cc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C17H16Cl2O2/c1-3-21-16-7-5-4-6-12(16)8-9-13-10-14(18)11-15(19)17(13)20-2/h4-11H,3H2,1-2H3
InChIKeyOOKOAYGDNFKCQW-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.57
Rot. Bonds5

About 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene

1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene (PubChem CID 3541272) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene.

Molecular Properties

Compound Name1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene
PubChem CID3541272
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene
SMILESCCOc1ccccc1C=Cc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C17H16Cl2O2/c1-3-21-16-7-5-4-6-12(16)8-9-13-10-14(18)11-15(19)17(13)20-2/h4-11H,3H2,1-2H3
InChIKeyOOKOAYGDNFKCQW-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene?
The IUPAC name of 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene (CID 3541272) is 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene.
What is the SMILES notation for 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene?
The canonical SMILES for 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene is CCOc1ccccc1C=Cc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene?
The InChIKey is OOKOAYGDNFKCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-3-21-16-7-5-4-6-12(16)8-9-13-10-14(18)11-15(19)17(13)20-2/h4-11H,3H2,1-2H3.
What are the key properties of 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene?
1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene has a molecular weight of 323.22 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene is sourced from PubChem (CID 3541272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).