(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

C15H12O4 — CID 6474295

IUPAC(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
InChIKeyLOYXTWZXLWHMBX-VOTSOKGWSA-N
MW256.26 g/mol
LogP2.70
Rot. Bonds3

About (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one (PubChem CID 6474295) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
PubChem CID6474295
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
InChIKeyLOYXTWZXLWHMBX-VOTSOKGWSA-N
XLogP2.70
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one (CID 6474295) is (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1)c1c(O)cc(O)cc1O.
What is the InChIKey of (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one?
The InChIKey is LOYXTWZXLWHMBX-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+.
What are the key properties of (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one?
(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one has a molecular weight of 256.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6474295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).