2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid

C12H8O4 — CID 24973228

IUPAC2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C12H8O4/c13-10-6-5-9(11(14)12(15)16)7-3-1-2-4-8(7)10/h1-6,13H,(H,15,16)
InChIKeyCLORKCMKRLPGAV-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid

2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid (PubChem CID 24973228) has the molecular formula C12H8O4 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid
PubChem CID24973228
Molecular FormulaC12H8O4
Molecular Weight216.19 g/mol
Exact Mass216.04
IUPAC Name2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C12H8O4/c13-10-6-5-9(11(14)12(15)16)7-3-1-2-4-8(7)10/h1-6,13H,(H,15,16)
InChIKeyCLORKCMKRLPGAV-UHFFFAOYSA-N
XLogP1.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid?
The IUPAC name of 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid (CID 24973228) is 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid is O=C(O)C(=O)c1ccc(O)c2ccccc12.
What is the InChIKey of 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid?
The InChIKey is CLORKCMKRLPGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4/c13-10-6-5-9(11(14)12(15)16)7-3-1-2-4-8(7)10/h1-6,13H,(H,15,16).
What are the key properties of 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid?
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid has a molecular weight of 216.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid is sourced from PubChem (CID 24973228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).