(E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one

C15H12O3 — CID 6474896

IUPAC(E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
InChIKeyHHKVOYUYPYZFHJ-SOFGYWHQSA-N
MW240.26 g/mol
LogP2.99
Rot. Bonds3

About (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one

(E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 6474896) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID6474896
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+
InChIKeyHHKVOYUYPYZFHJ-SOFGYWHQSA-N
XLogP2.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one (CID 6474896) is (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccc(O)c(O)c1)c1ccccc1.
What is the InChIKey of (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is HHKVOYUYPYZFHJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H12O3/c16-13(12-4-2-1-3-5-12)8-6-11-7-9-14(17)15(18)10-11/h1-10,17-18H/b8-6+.
What are the key properties of (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one?
(E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dihydroxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 6474896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).