2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid

C16H12N2O3 — CID 819382

IUPAC2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C16H12N2O3/c19-14(20)10-18-16(21)13-9-5-4-8-12(13)15(17-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKeyGYXUGIHFRFKEMD-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.15
Rot. Bonds3

About 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid

2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid (PubChem CID 819382) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid
PubChem CID819382
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C16H12N2O3/c19-14(20)10-18-16(21)13-9-5-4-8-12(13)15(17-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKeyGYXUGIHFRFKEMD-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid?
The IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid (CID 819382) is 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid is O=C(O)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid?
The InChIKey is GYXUGIHFRFKEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-14(20)10-18-16(21)13-9-5-4-8-12(13)15(17-18)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20).
What are the key properties of 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid?
2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid has a molecular weight of 280.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-phenylphthalazin-2-yl)acetic acid is sourced from PubChem (CID 819382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).