1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene

C16H14Cl2O2 — CID 6158264

IUPAC1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene
SMILESClc1ccccc1OC/C=C/COc1ccccc1Cl
InChIInChI=1S/C16H14Cl2O2/c17-13-7-1-3-9-15(13)19-11-5-6-12-20-16-10-4-2-8-14(16)18/h1-10H,11-12H2/b6-5+
InChIKeyYHALUTJBMMSPIJ-AATRIKPKSA-N
MW309.19 g/mol
LogP5.01
Rot. Bonds6

About 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene

1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene (PubChem CID 6158264) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene
PubChem CID6158264
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene
SMILESClc1ccccc1OC/C=C/COc1ccccc1Cl
InChIInChI=1S/C16H14Cl2O2/c17-13-7-1-3-9-15(13)19-11-5-6-12-20-16-10-4-2-8-14(16)18/h1-10H,11-12H2/b6-5+
InChIKeyYHALUTJBMMSPIJ-AATRIKPKSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.19
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene?
The IUPAC name of 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene (CID 6158264) is 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene?
The canonical SMILES for 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene is Clc1ccccc1OC/C=C/COc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene?
The InChIKey is YHALUTJBMMSPIJ-AATRIKPKSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-13-7-1-3-9-15(13)19-11-5-6-12-20-16-10-4-2-8-14(16)18/h1-10H,11-12H2/b6-5+.
What are the key properties of 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene?
1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene has a molecular weight of 309.19 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-4-(2-chlorophenoxy)but-2-enoxy]benzene is sourced from PubChem (CID 6158264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).