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

C15H12O4 — CID 71462728

IUPAC(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H12O4/c16-12-4-2-1-3-10(12)5-7-13(17)11-6-8-14(18)15(19)9-11/h1-9,16,18-19H/b7-5+
InChIKeyRPPMXVFLYLWWHN-FNORWQNLSA-N
MW256.26 g/mol
LogP2.70
Rot. Bonds3

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

(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 71462728) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
PubChem CID71462728
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H12O4/c16-12-4-2-1-3-10(12)5-7-13(17)11-6-8-14(18)15(19)9-11/h1-9,16,18-19H/b7-5+
InChIKeyRPPMXVFLYLWWHN-FNORWQNLSA-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
CID 70138823
(E)-3-(2-hydroxyphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 141495067
(E)-3-(2-hydroxyphenyl)-1-(5-methyl-3-pyridinyl)prop-2-en-1-one
CID 59463195
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 170838343
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
2,4-dihydroxy-5-[(Z)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 96892114
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one (CID 71462728) is (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1O)c1ccc(O)c(O)c1.
What is the InChIKey of (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is RPPMXVFLYLWWHN-FNORWQNLSA-N. The full InChI is InChI=1S/C15H12O4/c16-12-4-2-1-3-10(12)5-7-13(17)11-6-8-14(18)15(19)9-11/h1-9,16,18-19H/b7-5+.
What are the key properties of (E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)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)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 71462728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).