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

C17H14O3 — CID 6436784

IUPAC(1Z,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-DSOJMZEYSA-N
MW266.30 g/mol
LogP3.39
Rot. Bonds4

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

(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one (PubChem CID 6436784) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
PubChem CID6436784
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(1Z,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-DSOJMZEYSA-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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Related Compounds

(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one
CID 141350402
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 52936922
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
CID 91017486
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
CID 102322322
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 71462728
2,4-dihydroxy-5-[(Z)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 96892114

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one (CID 6436784) is (1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1Z,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 (1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one?
The InChIKey is YNVAHBUBGBLIEY-DSOJMZEYSA-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 (1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one?
(1Z,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 (1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 6436784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).