3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione

C18H12N2O4 — CID 11558784

IUPAC3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(-c3ccc(-c4ccccc4)cc3)coc2c(=O)n1O
InChIInChI=1S/C18H12N2O4/c21-17-16-15(19-18(22)20(17)23)14(10-24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,23H,(H,19,22)
InChIKeyULQLXBVELCEFAO-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.85
Rot. Bonds2

About 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione

3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11558784) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
PubChem CID11558784
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(-c3ccc(-c4ccccc4)cc3)coc2c(=O)n1O
InChIInChI=1S/C18H12N2O4/c21-17-16-15(19-18(22)20(17)23)14(10-24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,23H,(H,19,22)
InChIKeyULQLXBVELCEFAO-UHFFFAOYSA-N
XLogP2.85
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione (CID 11558784) is 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2c(-c3ccc(-c4ccccc4)cc3)coc2c(=O)n1O.
What is the InChIKey of 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ULQLXBVELCEFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-17-16-15(19-18(22)20(17)23)14(10-24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,23H,(H,19,22).
What are the key properties of 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione?
3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 320.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-(4-phenylphenyl)-1H-furo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11558784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).