(2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal

C14H14O2 — CID 167167360

IUPAC(2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal
SMILESC=C/C(C=O)=C\C=C(/C)c1ccc(O)cc1
InChIInChI=1S/C14H14O2/c1-3-12(10-15)5-4-11(2)13-6-8-14(16)9-7-13/h3-10,16H,1H2,2H3/b11-4+,12-5+
InChIKeyVDPUAZIHIYNTGI-JLYPQOKGSA-N
MW214.26 g/mol
LogP3.11
Rot. Bonds4

About (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal

(2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal (PubChem CID 167167360) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal
PubChem CID167167360
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal
SMILESC=C/C(C=O)=C\C=C(/C)c1ccc(O)cc1
InChIInChI=1S/C14H14O2/c1-3-12(10-15)5-4-11(2)13-6-8-14(16)9-7-13/h3-10,16H,1H2,2H3/b11-4+,12-5+
InChIKeyVDPUAZIHIYNTGI-JLYPQOKGSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal?
The IUPAC name of (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal (CID 167167360) is (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal.
What is the SMILES notation for (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal?
The canonical SMILES for (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal is C=C/C(C=O)=C\C=C(/C)c1ccc(O)cc1.
What is the InChIKey of (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal?
The InChIKey is VDPUAZIHIYNTGI-JLYPQOKGSA-N. The full InChI is InChI=1S/C14H14O2/c1-3-12(10-15)5-4-11(2)13-6-8-14(16)9-7-13/h3-10,16H,1H2,2H3/b11-4+,12-5+.
What are the key properties of (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal?
(2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal has a molecular weight of 214.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal is sourced from PubChem (CID 167167360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).