4-carboxynaphthalen-1-olate

C11H7O3- — CID 54707408

IUPAC4-carboxynaphthalen-1-olate
SMILESO=C(O)c1ccc([O-])c2ccccc12
InChIInChI=1S/C11H8O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,12H,(H,13,14)/p-1
InChIKeyPSAGPCOTGOTBQB-UHFFFAOYSA-M
MW187.17 g/mol
LogP1.61
Rot. Bonds1

About 4-carboxynaphthalen-1-olate

4-carboxynaphthalen-1-olate (PubChem CID 54707408) has the molecular formula C11H7O3- and a molecular weight of 187.17 g/mol. Its IUPAC name is 4-carboxynaphthalen-1-olate.

Molecular Properties

Compound Name4-carboxynaphthalen-1-olate
PubChem CID54707408
Molecular FormulaC11H7O3-
Molecular Weight187.17 g/mol
Exact Mass187.04
IUPAC Name4-carboxynaphthalen-1-olate
SMILESO=C(O)c1ccc([O-])c2ccccc12
InChIInChI=1S/C11H8O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,12H,(H,13,14)/p-1
InChIKeyPSAGPCOTGOTBQB-UHFFFAOYSA-M
XLogP1.61
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-carboxynaphthalen-1-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
2-carboxyphenolate;gold(1+)
CID 54682314
copper bis(2-carboxyphenolate)
CID 54683201
potassium 2-carboxyphenolate
CID 23689489
dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
dicalcium bis(2-carboxyphenolate)
CID 158572383
magnesium tris(2-carboxyphenolate)
CID 54714197
dilithium bis(2-carboxyphenolate)
CID 54690284
triazanium;tris(2-carboxyphenolate)
CID 172802459

Frequently Asked Questions

What is the IUPAC name of 4-carboxynaphthalen-1-olate?
The IUPAC name of 4-carboxynaphthalen-1-olate (CID 54707408) is 4-carboxynaphthalen-1-olate.
What is the SMILES notation for 4-carboxynaphthalen-1-olate?
The canonical SMILES for 4-carboxynaphthalen-1-olate is O=C(O)c1ccc([O-])c2ccccc12.
What is the InChIKey of 4-carboxynaphthalen-1-olate?
The InChIKey is PSAGPCOTGOTBQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,12H,(H,13,14)/p-1.
What are the key properties of 4-carboxynaphthalen-1-olate?
4-carboxynaphthalen-1-olate has a molecular weight of 187.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxynaphthalen-1-olate is sourced from PubChem (CID 54707408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).