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

C15H12O3 — CID 5467477

IUPAC(E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+
InChIKeyFZQLEXXZAVVCCA-XCVCLJGOSA-N
MW240.26 g/mol
LogP2.99
Rot. Bonds3

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

(E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 5467477) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID5467477
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+
InChIKeyFZQLEXXZAVVCCA-XCVCLJGOSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one (CID 5467477) is (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is FZQLEXXZAVVCCA-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+.
What are the key properties of (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one?
(E)-1,3-bis(4-hydroxyphenyl)prop-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)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5467477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).