1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene

C18H20Cl2O2 — CID 23871

IUPAC1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene
SMILESCCOc1ccc(C(c2ccc(OCC)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C18H20Cl2O2/c1-3-21-15-9-5-13(6-10-15)17(18(19)20)14-7-11-16(12-8-14)22-4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKeyAEQAQDMDEHNZNC-UHFFFAOYSA-N
MW339.26 g/mol
LogP5.42
Rot. Bonds7

About 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene

1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene (PubChem CID 23871) has the molecular formula C18H20Cl2O2 and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene.

Molecular Properties

Compound Name1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene
PubChem CID23871
Molecular FormulaC18H20Cl2O2
Molecular Weight339.26 g/mol
Exact Mass338.08
IUPAC Name1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene
SMILESCCOc1ccc(C(c2ccc(OCC)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C18H20Cl2O2/c1-3-21-15-9-5-13(6-10-15)17(18(19)20)14-7-11-16(12-8-14)22-4-2/h5-12,17-18H,3-4H2,1-2H3
InChIKeyAEQAQDMDEHNZNC-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.26
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene?
The IUPAC name of 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene (CID 23871) is 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene.
What is the SMILES notation for 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene?
The canonical SMILES for 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene is CCOc1ccc(C(c2ccc(OCC)cc2)C(Cl)Cl)cc1.
What is the InChIKey of 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene?
The InChIKey is AEQAQDMDEHNZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O2/c1-3-21-15-9-5-13(6-10-15)17(18(19)20)14-7-11-16(12-8-14)22-4-2/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene?
1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene has a molecular weight of 339.26 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dichloro-1-(4-ethoxyphenyl)ethyl]-4-ethoxybenzene is sourced from PubChem (CID 23871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).