2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid

C23H18N2O4 — CID 66825067

IUPAC2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
SMILESO=C1NC(c2ccccc2)=C(c2ccccc2)C(c2ccc(O)c(C(=O)O)c2)N1
InChIInChI=1S/C23H18N2O4/c26-18-12-11-16(13-17(18)22(27)28)21-19(14-7-3-1-4-8-14)20(24-23(29)25-21)15-9-5-2-6-10-15/h1-13,21,26H,(H,27,28)(H2,24,25,29)
InChIKeyOHZHNFJQLIKACZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.01
Rot. Bonds4

About 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid

2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid (PubChem CID 66825067) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
PubChem CID66825067
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
SMILESO=C1NC(c2ccccc2)=C(c2ccccc2)C(c2ccc(O)c(C(=O)O)c2)N1
InChIInChI=1S/C23H18N2O4/c26-18-12-11-16(13-17(18)22(27)28)21-19(14-7-3-1-4-8-14)20(24-23(29)25-21)15-9-5-2-6-10-15/h1-13,21,26H,(H,27,28)(H2,24,25,29)
InChIKeyOHZHNFJQLIKACZ-UHFFFAOYSA-N
XLogP4.01
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid (CID 66825067) is 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid is O=C1NC(c2ccccc2)=C(c2ccccc2)C(c2ccc(O)c(C(=O)O)c2)N1.
What is the InChIKey of 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid?
The InChIKey is OHZHNFJQLIKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-18-12-11-16(13-17(18)22(27)28)21-19(14-7-3-1-4-8-14)20(24-23(29)25-21)15-9-5-2-6-10-15/h1-13,21,26H,(H,27,28)(H2,24,25,29).
What are the key properties of 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid?
2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid has a molecular weight of 386.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-oxo-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid is sourced from PubChem (CID 66825067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).