4-[(Z)-2-chloroethenyl]benzaldehyde

C9H7ClO — CID 177460651

IUPAC4-[(Z)-2-chloroethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C\Cl)cc1
InChIInChI=1S/C9H7ClO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-7H/b6-5-
InChIKeyWQXPVTIQXLMLMX-WAYWQWQTSA-N
MW166.61 g/mol
LogP2.71
Rot. Bonds2

About 4-[(Z)-2-chloroethenyl]benzaldehyde

4-[(Z)-2-chloroethenyl]benzaldehyde (PubChem CID 177460651) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 4-[(Z)-2-chloroethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(Z)-2-chloroethenyl]benzaldehyde
PubChem CID177460651
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name4-[(Z)-2-chloroethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C\Cl)cc1
InChIInChI=1S/C9H7ClO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-7H/b6-5-
InChIKeyWQXPVTIQXLMLMX-WAYWQWQTSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloroethenyl]benzaldehyde?
The IUPAC name of 4-[(Z)-2-chloroethenyl]benzaldehyde (CID 177460651) is 4-[(Z)-2-chloroethenyl]benzaldehyde.
What is the SMILES notation for 4-[(Z)-2-chloroethenyl]benzaldehyde?
The canonical SMILES for 4-[(Z)-2-chloroethenyl]benzaldehyde is O=Cc1ccc(/C=C\Cl)cc1.
What is the InChIKey of 4-[(Z)-2-chloroethenyl]benzaldehyde?
The InChIKey is WQXPVTIQXLMLMX-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H7ClO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-7H/b6-5-.
What are the key properties of 4-[(Z)-2-chloroethenyl]benzaldehyde?
4-[(Z)-2-chloroethenyl]benzaldehyde has a molecular weight of 166.61 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloroethenyl]benzaldehyde is sourced from PubChem (CID 177460651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).