6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde

C12H11BrO — CID 143407181

IUPAC6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde
SMILESC=Cc1ccc(Br)c(C=O)c1/C=C\C
InChIInChI=1S/C12H11BrO/c1-3-5-10-9(4-2)6-7-12(13)11(10)8-14/h3-8H,2H2,1H3/b5-3-
InChIKeyWRNREPOTLKQJIY-HYXAFXHYSA-N
MW251.12 g/mol
LogP3.94
Rot. Bonds3

About 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde

6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde (PubChem CID 143407181) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde.

Molecular Properties

Compound Name6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde
PubChem CID143407181
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde
SMILESC=Cc1ccc(Br)c(C=O)c1/C=C\C
InChIInChI=1S/C12H11BrO/c1-3-5-10-9(4-2)6-7-12(13)11(10)8-14/h3-8H,2H2,1H3/b5-3-
InChIKeyWRNREPOTLKQJIY-HYXAFXHYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.94
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 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde?
The IUPAC name of 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde (CID 143407181) is 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde.
What is the SMILES notation for 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde?
The canonical SMILES for 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde is C=Cc1ccc(Br)c(C=O)c1/C=C\C.
What is the InChIKey of 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde?
The InChIKey is WRNREPOTLKQJIY-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-3-5-10-9(4-2)6-7-12(13)11(10)8-14/h3-8H,2H2,1H3/b5-3-.
What are the key properties of 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde?
6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde has a molecular weight of 251.12 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde is sourced from PubChem (CID 143407181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).