1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene

C18H16Cl2O — CID 164676364

IUPAC1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene
SMILESCO/C(=C\C=C\Cc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C18H16Cl2O/c1-21-18(15-10-4-6-12-17(15)20)13-7-3-9-14-8-2-5-11-16(14)19/h2-8,10-13H,9H2,1H3/b7-3+,18-13-
InChIKeySHXKYGHDDNIPLX-JMGROZJKSA-N
MW319.23 g/mol
LogP5.78
Rot. Bonds5

About 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene

1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene (PubChem CID 164676364) has the molecular formula C18H16Cl2O and a molecular weight of 319.23 g/mol. Its IUPAC name is 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene
PubChem CID164676364
Molecular FormulaC18H16Cl2O
Molecular Weight319.23 g/mol
Exact Mass318.06
IUPAC Name1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene
SMILESCO/C(=C\C=C\Cc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C18H16Cl2O/c1-21-18(15-10-4-6-12-17(15)20)13-7-3-9-14-8-2-5-11-16(14)19/h2-8,10-13H,9H2,1H3/b7-3+,18-13-
InChIKeySHXKYGHDDNIPLX-JMGROZJKSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.23
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene?
The IUPAC name of 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene (CID 164676364) is 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene.
What is the SMILES notation for 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene?
The canonical SMILES for 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene is CO/C(=C\C=C\Cc1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene?
The InChIKey is SHXKYGHDDNIPLX-JMGROZJKSA-N. The full InChI is InChI=1S/C18H16Cl2O/c1-21-18(15-10-4-6-12-17(15)20)13-7-3-9-14-8-2-5-11-16(14)19/h2-8,10-13H,9H2,1H3/b7-3+,18-13-.
What are the key properties of 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene?
1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene has a molecular weight of 319.23 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene is sourced from PubChem (CID 164676364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).