3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde

C15H10Cl2O — CID 122476033

IUPAC3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde
SMILESO=Cc1cc(Cl)cc(/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C15H10Cl2O/c16-14-3-1-2-11(7-14)4-5-12-6-13(10-18)9-15(17)8-12/h1-10H/b5-4+
InChIKeyQLZJMNXCUCVTMW-SNAWJCMRSA-N
MW277.15 g/mol
LogP4.98
Rot. Bonds3

About 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde

3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde (PubChem CID 122476033) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde
PubChem CID122476033
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde
SMILESO=Cc1cc(Cl)cc(/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C15H10Cl2O/c16-14-3-1-2-11(7-14)4-5-12-6-13(10-18)9-15(17)8-12/h1-10H/b5-4+
InChIKeyQLZJMNXCUCVTMW-SNAWJCMRSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde?
The IUPAC name of 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde (CID 122476033) is 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde?
The canonical SMILES for 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde is O=Cc1cc(Cl)cc(/C=C/c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde?
The InChIKey is QLZJMNXCUCVTMW-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H10Cl2O/c16-14-3-1-2-11(7-14)4-5-12-6-13(10-18)9-15(17)8-12/h1-10H/b5-4+.
What are the key properties of 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde?
3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde has a molecular weight of 277.15 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(E)-2-(3-chlorophenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 122476033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).