(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one

C17H14O3 — CID 5472867

IUPAC(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccccc1O)/C=C/c1ccccc1O
InChIInChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+
InChIKeyYNVAHBUBGBLIEY-WGDLNXRISA-N
MW266.30 g/mol
LogP3.39
Rot. Bonds4

About (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one (PubChem CID 5472867) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
PubChem CID5472867
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccccc1O)/C=C/c1ccccc1O
InChIInChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+
InChIKeyYNVAHBUBGBLIEY-WGDLNXRISA-N
XLogP3.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.39
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 (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one (CID 5472867) is (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one is O=C(/C=C/c1ccccc1O)/C=C/c1ccccc1O.
What is the InChIKey of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one?
The InChIKey is YNVAHBUBGBLIEY-WGDLNXRISA-N. The full InChI is InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H/b11-9+,12-10+.
What are the key properties of (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one has a molecular weight of 266.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 5472867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).