1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione

C18H11ClN2O5 — CID 1325253

IUPAC1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
SMILESO=C1O[C@@H](c2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)c2ccccc21
InChIInChI=1S/C18H11ClN2O5/c19-9-5-7-10(8-6-9)21-16(23)13(15(22)20-18(21)25)14-11-3-1-2-4-12(11)17(24)26-14/h1-8,14,23H,(H,20,22,25)/t14-/m1/s1
InChIKeyMMSJUNSOOBKNOU-CQSZACIVSA-N
MW370.75 g/mol
LogP2.14
Rot. Bonds2

About 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione

1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione (PubChem CID 1325253) has the molecular formula C18H11ClN2O5 and a molecular weight of 370.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
PubChem CID1325253
Molecular FormulaC18H11ClN2O5
Molecular Weight370.75 g/mol
Exact Mass370.04
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
SMILESO=C1O[C@@H](c2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)c2ccccc21
InChIInChI=1S/C18H11ClN2O5/c19-9-5-7-10(8-6-9)21-16(23)13(15(22)20-18(21)25)14-11-3-1-2-4-12(11)17(24)26-14/h1-8,14,23H,(H,20,22,25)/t14-/m1/s1
InChIKeyMMSJUNSOOBKNOU-CQSZACIVSA-N
XLogP2.14
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.75
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione
CID 40901308
1-(3,5-dimethylphenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)pyrimidine-2,4-dione
CID 132795055
6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 27506108
6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 2293398
1-(2-chlorophenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidenepyrimidin-4-one
CID 56691656
1-(2,5-dimethylphenyl)-6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 40916141
1-(2-fluorophenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidenepyrimidin-4-one
CID 171982474
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
1-(4-chlorophenyl)-6-hydroxy-5-(3-phenylpropa-1,2-dienyl)pyrimidine-2,4-dione
CID 91565094
1-(4-chlorophenyl)-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
CID 4870777
1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135855562

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione (CID 1325253) is 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione is O=C1O[C@@H](c2c(O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)c2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
The InChIKey is MMSJUNSOOBKNOU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H11ClN2O5/c19-9-5-7-10(8-6-9)21-16(23)13(15(22)20-18(21)25)14-11-3-1-2-4-12(11)17(24)26-14/h1-8,14,23H,(H,20,22,25)/t14-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione?
1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione has a molecular weight of 370.75 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 1325253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).