5-oxo-8H-naphthalene-2-carboxylic acid

C11H8O3 — CID 67897142

IUPAC5-oxo-8H-naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC=CC2=O
InChIInChI=1S/C11H8O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1,3-6H,2H2,(H,13,14)
InChIKeyUBFFNNRFKWNHOI-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.68
Rot. Bonds1

About 5-oxo-8H-naphthalene-2-carboxylic acid

5-oxo-8H-naphthalene-2-carboxylic acid (PubChem CID 67897142) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-oxo-8H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-8H-naphthalene-2-carboxylic acid
PubChem CID67897142
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name5-oxo-8H-naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC=CC2=O
InChIInChI=1S/C11H8O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1,3-6H,2H2,(H,13,14)
InChIKeyUBFFNNRFKWNHOI-UHFFFAOYSA-N
XLogP1.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dihydronaphthalene-2-carboxylic acid
CID 70557136
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15,24-tricarboxylic acid
CID 101463764
1-(3H-inden-5-yl)ethanone;hydrochloride
CID 68526957
1,2-dimethyl-3H-indazole-5-carboxylic acid
CID 86308105
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
6-amino-9,10-dioxoanthracene-2-carboxylic acid
CID 154137523
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid
CID 12563000
9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
CID 144801520

Frequently Asked Questions

What is the IUPAC name of 5-oxo-8H-naphthalene-2-carboxylic acid?
The IUPAC name of 5-oxo-8H-naphthalene-2-carboxylic acid (CID 67897142) is 5-oxo-8H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-oxo-8H-naphthalene-2-carboxylic acid?
The canonical SMILES for 5-oxo-8H-naphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CC=CC2=O.
What is the InChIKey of 5-oxo-8H-naphthalene-2-carboxylic acid?
The InChIKey is UBFFNNRFKWNHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1,3-6H,2H2,(H,13,14).
What are the key properties of 5-oxo-8H-naphthalene-2-carboxylic acid?
5-oxo-8H-naphthalene-2-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-8H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 67897142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).