2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione

C19H15NO4 — CID 11278679

IUPAC2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione
SMILESO=C(CC(C(=O)c1ccccn1)c1ccco1)c1cccc(O)c1
InChIInChI=1S/C19H15NO4/c21-14-6-3-5-13(11-14)17(22)12-15(18-8-4-10-24-18)19(23)16-7-1-2-9-20-16/h1-11,15,21H,12H2
InChIKeyWTSPHQCFLONOMA-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.62
Rot. Bonds6

About 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione

2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione (PubChem CID 11278679) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione
PubChem CID11278679
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione
SMILESO=C(CC(C(=O)c1ccccn1)c1ccco1)c1cccc(O)c1
InChIInChI=1S/C19H15NO4/c21-14-6-3-5-13(11-14)17(22)12-15(18-8-4-10-24-18)19(23)16-7-1-2-9-20-16/h1-11,15,21H,12H2
InChIKeyWTSPHQCFLONOMA-UHFFFAOYSA-N
XLogP3.62
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
CID 12615241
[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride
CID 90358317
3-(3-bromophenyl)-4-oxo-4-pyridin-2-ylbutanoic acid
CID 84609688
(Z,1S,2R,3R)-2-ethenyl-1-(furan-2-yl)-7-(3-hydroxyphenyl)-6-pyridin-2-ylhept-6-ene-1,3-diol
CID 23974844
N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 94818587
(3R)-3-(3-hydroxyphenyl)-1,3-diphenylpropan-1-one
CID 102451950
3-(3-hydroxyphenyl)-3-oxopropanal
CID 115012898
(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one
CID 23579935
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
3-[2-(furan-2-yl)-2-hydroxyethyl]phenol
CID 71201493
1-phenyl-5-pyridin-2-ylpentane-1,3,5-trione
CID 117060151
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione?
The IUPAC name of 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione (CID 11278679) is 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione.
What is the SMILES notation for 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione?
The canonical SMILES for 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione is O=C(CC(C(=O)c1ccccn1)c1ccco1)c1cccc(O)c1.
What is the InChIKey of 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione?
The InChIKey is WTSPHQCFLONOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-14-6-3-5-13(11-14)17(22)12-15(18-8-4-10-24-18)19(23)16-7-1-2-9-20-16/h1-11,15,21H,12H2.
What are the key properties of 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione?
2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione has a molecular weight of 321.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(3-hydroxyphenyl)-1-pyridin-2-ylbutane-1,4-dione is sourced from PubChem (CID 11278679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).