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

C15H12O5 — CID 14440598

IUPAC(E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(O)cc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)6-5-12-14(19)7-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-5+
InChIKeyXVKVHXIEAGUWSH-AATRIKPKSA-N
MW272.26 g/mol
LogP2.41
Rot. Bonds3

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

(E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one (PubChem CID 14440598) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
PubChem CID14440598
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name(E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(O)cc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)6-5-12-14(19)7-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-5+
InChIKeyXVKVHXIEAGUWSH-AATRIKPKSA-N
XLogP2.41
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-bromo-4,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 16638666
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol
CID 10221223
(E)-3-(4-hydroxy-2,6-dimethylphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 44725763
3-(4-hydroxy-3-nitrophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 78574200
1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174616800
(E)-3-(2-ethoxy-3,5-diethyl-6-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178675
(E)-1-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 89136954
3-[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 54089027
[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonic acid
CID 87534128
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
1-(4-hydroxyphenyl)-3-[5-methyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-en-1-one
CID 54522447

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one (CID 14440598) is (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1c(O)cc(O)cc1O)c1ccc(O)cc1.
What is the InChIKey of (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one?
The InChIKey is XVKVHXIEAGUWSH-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)6-5-12-14(19)7-11(17)8-15(12)20/h1-8,16-17,19-20H/b6-5+.
What are the key properties of (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one?
(E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one has a molecular weight of 272.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 14440598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).