(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal

C15H12O2 — CID 82114899

IUPAC(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal
SMILESO=C/C(=C/c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H12O2/c16-11-14(13-6-2-1-3-7-13)9-12-5-4-8-15(17)10-12/h1-11,17H/b14-9-
InChIKeyFOYMLTILDWGOAY-ZROIWOOFSA-N
MW224.26 g/mol
LogP3.13
Rot. Bonds3

About (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal

(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal (PubChem CID 82114899) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal
PubChem CID82114899
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal
SMILESO=C/C(=C/c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H12O2/c16-11-14(13-6-2-1-3-7-13)9-12-5-4-8-15(17)10-12/h1-11,17H/b14-9-
InChIKeyFOYMLTILDWGOAY-ZROIWOOFSA-N
XLogP3.13
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 ≤ 53.13
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': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal?
The IUPAC name of (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal (CID 82114899) is (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal is O=C/C(=C/c1cccc(O)c1)c1ccccc1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal?
The InChIKey is FOYMLTILDWGOAY-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H12O2/c16-11-14(13-6-2-1-3-7-13)9-12-5-4-8-15(17)10-12/h1-11,17H/b14-9-.
What are the key properties of (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal?
(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal has a molecular weight of 224.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal is sourced from PubChem (CID 82114899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).