3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde

C15H12O2 — CID 59310574

IUPAC3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C15H12O2/c16-11-14-3-1-2-13(10-14)5-4-12-6-8-15(17)9-7-12/h1-11,17H/b5-4+
InChIKeyHEHGLAUJZHJVHK-SNAWJCMRSA-N
MW224.26 g/mol
LogP3.38
Rot. Bonds3

About 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde

3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde (PubChem CID 59310574) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
PubChem CID59310574
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
SMILESO=Cc1cccc(/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C15H12O2/c16-11-14-3-1-2-13(10-14)5-4-12-6-8-15(17)9-7-12/h1-11,17H/b5-4+
InChIKeyHEHGLAUJZHJVHK-SNAWJCMRSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
4-hydroxybenzaldehyde;3-nitrobenzaldehyde
CID 157352105
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
acetic acid;4-hydroxybenzaldehyde
CID 86610069
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
CID 123355717
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde?
The IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde (CID 59310574) is 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde?
The canonical SMILES for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde is O=Cc1cccc(/C=C/c2ccc(O)cc2)c1.
What is the InChIKey of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde?
The InChIKey is HEHGLAUJZHJVHK-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H12O2/c16-11-14-3-1-2-13(10-14)5-4-12-6-8-15(17)9-7-12/h1-11,17H/b5-4+.
What are the key properties of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde?
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde has a molecular weight of 224.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 59310574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).