4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde

C16H13ClO — CID 142223936

IUPAC4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(CCl)cc2)cc1
InChIInChI=1S/C16H13ClO/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10,12H,11H2/b2-1+
InChIKeyGWEAHPRTTOXIKG-OWOJBTEDSA-N
MW256.73 g/mol
LogP4.41
Rot. Bonds4

About 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde

4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde (PubChem CID 142223936) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde
PubChem CID142223936
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(/C=C/c2ccc(CCl)cc2)cc1
InChIInChI=1S/C16H13ClO/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10,12H,11H2/b2-1+
InChIKeyGWEAHPRTTOXIKG-OWOJBTEDSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.41
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene
CID 175040142
1-(chloromethyl)-4-[2-[2-[4-(chloromethyl)phenyl]ethenoxy]ethenyl]benzene
CID 141313993
4-[(Z)-2-chloroethenyl]benzaldehyde
CID 177460651
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169473141
4-(2,3-dichloropropyl)benzaldehyde
CID 87468753
4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]benzaldehyde
CID 71377605
1-(chloromethyl)-4-ethenylbenzene;phosphane
CID 87786462
4-(4-oxobut-1-enyl)benzaldehyde
CID 170481464
4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
CID 85434462
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
4-(3-oxopropyl)benzaldehyde
CID 12927813

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde?
The IUPAC name of 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde (CID 142223936) is 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde is O=Cc1ccc(/C=C/c2ccc(CCl)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde?
The InChIKey is GWEAHPRTTOXIKG-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H13ClO/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10,12H,11H2/b2-1+.
What are the key properties of 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde?
4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde has a molecular weight of 256.73 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 142223936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).