6-methoxycarbonylnaphthalene-2-carboxylate

C13H9O4- — CID 3934911

IUPAC6-methoxycarbonylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)[O-])ccc2c1
InChIInChI=1S/C13H10O4/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11/h2-7H,1H3,(H,14,15)/p-1
InChIKeySKTKMAWOMQFTNS-UHFFFAOYSA-M
MW229.21 g/mol
LogP0.99
Rot. Bonds2

About 6-methoxycarbonylnaphthalene-2-carboxylate

6-methoxycarbonylnaphthalene-2-carboxylate (PubChem CID 3934911) has the molecular formula C13H9O4- and a molecular weight of 229.21 g/mol. Its IUPAC name is 6-methoxycarbonylnaphthalene-2-carboxylate.

Molecular Properties

Compound Name6-methoxycarbonylnaphthalene-2-carboxylate
PubChem CID3934911
Molecular FormulaC13H9O4-
Molecular Weight229.21 g/mol
Exact Mass229.05
IUPAC Name6-methoxycarbonylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C(=O)[O-])ccc2c1
InChIInChI=1S/C13H10O4/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11/h2-7H,1H3,(H,14,15)/p-1
InChIKeySKTKMAWOMQFTNS-UHFFFAOYSA-M
XLogP0.99
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxycarbonylnaphthalene-2-carboxylate 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

potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
magnesium naphthalene-2,6-dicarboxylate
CID 67200509
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
CID 67158729
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871
methyl 6-(2-cyanoacetyl)naphthalene-2-carboxylate
CID 146356427
potassium naphthalene-2-carboxylate
CID 23664129
anthracene-2-carboxylate
CID 11160355
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304

Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonylnaphthalene-2-carboxylate?
The IUPAC name of 6-methoxycarbonylnaphthalene-2-carboxylate (CID 3934911) is 6-methoxycarbonylnaphthalene-2-carboxylate.
What is the SMILES notation for 6-methoxycarbonylnaphthalene-2-carboxylate?
The canonical SMILES for 6-methoxycarbonylnaphthalene-2-carboxylate is COC(=O)c1ccc2cc(C(=O)[O-])ccc2c1.
What is the InChIKey of 6-methoxycarbonylnaphthalene-2-carboxylate?
The InChIKey is SKTKMAWOMQFTNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10O4/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11/h2-7H,1H3,(H,14,15)/p-1.
What are the key properties of 6-methoxycarbonylnaphthalene-2-carboxylate?
6-methoxycarbonylnaphthalene-2-carboxylate has a molecular weight of 229.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonylnaphthalene-2-carboxylate is sourced from PubChem (CID 3934911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).