1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one

C15H12O2S — CID 141350402

IUPAC1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one
SMILESO=C(C=Cc1cccs1)C=Cc1ccccc1O
InChIInChI=1S/C15H12O2S/c16-13(9-10-14-5-3-11-18-14)8-7-12-4-1-2-6-15(12)17/h1-11,17H
InChIKeyJNYOWHBCAIALOC-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.75
Rot. Bonds4

About 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one

1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one (PubChem CID 141350402) has the molecular formula C15H12O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one
PubChem CID141350402
Molecular FormulaC15H12O2S
Molecular Weight256.33 g/mol
Exact Mass256.06
IUPAC Name1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one
SMILESO=C(C=Cc1cccs1)C=Cc1ccccc1O
InChIInChI=1S/C15H12O2S/c16-13(9-10-14-5-3-11-18-14)8-7-12-4-1-2-6-15(12)17/h1-11,17H
InChIKeyJNYOWHBCAIALOC-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
CID 59090948
CID 59090948
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(1E,4E)-1-(2-quinazolin-4-ylsulfanylphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one
CID 76900097
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-thiophen-2-ylpenta-1,4-dien-3-one
CID 52937238
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
(E)-1-(3,5-dihydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 74983119
3-thiophen-2-yl-1-[4-(3-thiophen-2-ylprop-2-enoyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 1000917
(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
CID 19558925

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one?
The IUPAC name of 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one (CID 141350402) is 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one is O=C(C=Cc1cccs1)C=Cc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one?
The InChIKey is JNYOWHBCAIALOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S/c16-13(9-10-14-5-3-11-18-14)8-7-12-4-1-2-6-15(12)17/h1-11,17H.
What are the key properties of 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one?
1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one has a molecular weight of 256.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-5-thiophen-2-ylpenta-1,4-dien-3-one is sourced from PubChem (CID 141350402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).