6-carboxy-3-methoxycarbonylnaphthalen-2-olate

C13H9O5- — CID 71358294

IUPAC6-carboxy-3-methoxycarbonylnaphthalen-2-olate
SMILESCOC(=O)c1cc2cc(C(=O)O)ccc2cc1[O-]
InChIInChI=1S/C13H10O5/c1-18-13(17)10-5-9-4-8(12(15)16)3-2-7(9)6-11(10)14/h2-6,14H,1H3,(H,15,16)/p-1
InChIKeyGHJJEWGJHYOJMZ-UHFFFAOYSA-M
MW245.21 g/mol
LogP1.40
Rot. Bonds2

About 6-carboxy-3-methoxycarbonylnaphthalen-2-olate

6-carboxy-3-methoxycarbonylnaphthalen-2-olate (PubChem CID 71358294) has the molecular formula C13H9O5- and a molecular weight of 245.21 g/mol. Its IUPAC name is 6-carboxy-3-methoxycarbonylnaphthalen-2-olate.

Molecular Properties

Compound Name6-carboxy-3-methoxycarbonylnaphthalen-2-olate
PubChem CID71358294
Molecular FormulaC13H9O5-
Molecular Weight245.21 g/mol
Exact Mass245.05
IUPAC Name6-carboxy-3-methoxycarbonylnaphthalen-2-olate
SMILESCOC(=O)c1cc2cc(C(=O)O)ccc2cc1[O-]
InChIInChI=1S/C13H10O5/c1-18-13(17)10-5-9-4-8(12(15)16)3-2-7(9)6-11(10)14/h2-6,14H,1H3,(H,15,16)/p-1
InChIKeyGHJJEWGJHYOJMZ-UHFFFAOYSA-M
XLogP1.40
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-methoxycarbonylbenzoic acid;7-methoxycarbonylnaphthalene-2-carboxylic acid
CID 144908401
3-methoxycarbonyl-4-sulfanylbenzoic acid
CID 91874282
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
zinc bis(6-carboxynaphthalen-2-olate)
CID 54685888

Frequently Asked Questions

What is the IUPAC name of 6-carboxy-3-methoxycarbonylnaphthalen-2-olate?
The IUPAC name of 6-carboxy-3-methoxycarbonylnaphthalen-2-olate (CID 71358294) is 6-carboxy-3-methoxycarbonylnaphthalen-2-olate.
What is the SMILES notation for 6-carboxy-3-methoxycarbonylnaphthalen-2-olate?
The canonical SMILES for 6-carboxy-3-methoxycarbonylnaphthalen-2-olate is COC(=O)c1cc2cc(C(=O)O)ccc2cc1[O-].
What is the InChIKey of 6-carboxy-3-methoxycarbonylnaphthalen-2-olate?
The InChIKey is GHJJEWGJHYOJMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10O5/c1-18-13(17)10-5-9-4-8(12(15)16)3-2-7(9)6-11(10)14/h2-6,14H,1H3,(H,15,16)/p-1.
What are the key properties of 6-carboxy-3-methoxycarbonylnaphthalen-2-olate?
6-carboxy-3-methoxycarbonylnaphthalen-2-olate has a molecular weight of 245.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carboxy-3-methoxycarbonylnaphthalen-2-olate is sourced from PubChem (CID 71358294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).