3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde

C10H8Cl2O — CID 169477223

IUPAC3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
SMILESO=Cc1ccc(C=CCCl)c(Cl)c1
InChIInChI=1S/C10H8Cl2O/c11-5-1-2-9-4-3-8(7-13)6-10(9)12/h1-4,6-7H,5H2
InChIKeyJYJZEUPYYQHKNI-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.40
Rot. Bonds3

About 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde

3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde (PubChem CID 169477223) has the molecular formula C10H8Cl2O and a molecular weight of 215.08 g/mol. Its IUPAC name is 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
PubChem CID169477223
Molecular FormulaC10H8Cl2O
Molecular Weight215.08 g/mol
Exact Mass214.00
IUPAC Name3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde
SMILESO=Cc1ccc(C=CCCl)c(Cl)c1
InChIInChI=1S/C10H8Cl2O/c11-5-1-2-9-4-3-8(7-13)6-10(9)12/h1-4,6-7H,5H2
InChIKeyJYJZEUPYYQHKNI-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde?
The IUPAC name of 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde (CID 169477223) is 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde?
The canonical SMILES for 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde is O=Cc1ccc(C=CCCl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde?
The InChIKey is JYJZEUPYYQHKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O/c11-5-1-2-9-4-3-8(7-13)6-10(9)12/h1-4,6-7H,5H2.
What are the key properties of 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde?
3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde has a molecular weight of 215.08 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-chloroprop-1-enyl)benzaldehyde is sourced from PubChem (CID 169477223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).