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

C18H12N2O5 — CID 40901308

IUPAC6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione
SMILESO=C1O[C@@H](c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c2ccccc21
InChIInChI=1S/C18H12N2O5/c21-15-13(14-11-8-4-5-9-12(11)17(23)25-14)16(22)20(18(24)19-15)10-6-2-1-3-7-10/h1-9,14,22H,(H,19,21,24)/t14-/m1/s1
InChIKeyPDSZKKFVMMZNAO-CQSZACIVSA-N
MW336.30 g/mol
LogP1.49
Rot. Bonds2

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

6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione (PubChem CID 40901308) has the molecular formula C18H12N2O5 and a molecular weight of 336.30 g/mol. Its IUPAC name is 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione
PubChem CID40901308
Molecular FormulaC18H12N2O5
Molecular Weight336.30 g/mol
Exact Mass336.07
IUPAC Name6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione
SMILESO=C1O[C@@H](c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c2ccccc21
InChIInChI=1S/C18H12N2O5/c21-15-13(14-11-8-4-5-9-12(11)17(23)25-14)16(22)20(18(24)19-15)10-6-2-1-3-7-10/h1-9,14,22H,(H,19,21,24)/t14-/m1/s1
InChIKeyPDSZKKFVMMZNAO-CQSZACIVSA-N
XLogP1.49
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 1325253
1-(3,5-dimethylphenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)pyrimidine-2,4-dione
CID 132795055
6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 2293398
6-hydroxy-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 27506108
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
1-(2-chlorophenyl)-6-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidenepyrimidin-4-one
CID 56691656
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
6-hydroxy-1-phenyl-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-2,4-dione
CID 7068328
3-(2,5-dihydroxyphenyl)-3H-2-benzofuran-1-one
CID 71442115
2-[4-hydroxy-6-methyl-2-oxo-3-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-1-pyridinyl]acetic acid
CID 54733655
5-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 40944539

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione (CID 40901308) is 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione is O=C1O[C@@H](c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c2ccccc21.
What is the InChIKey of 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione?
The InChIKey is PDSZKKFVMMZNAO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H12N2O5/c21-15-13(14-11-8-4-5-9-12(11)17(23)25-14)16(22)20(18(24)19-15)10-6-2-1-3-7-10/h1-9,14,22H,(H,19,21,24)/t14-/m1/s1.
What are the key properties of 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione?
6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione has a molecular weight of 336.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 40901308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).