methyl 7-methoxynaphthalene-2-carboxylate

C13H12O3 — CID 10082020

IUPACmethyl 7-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(OC)cc2c1
InChIInChI=1S/C13H12O3/c1-15-12-6-5-9-3-4-10(13(14)16-2)7-11(9)8-12/h3-8H,1-2H3
InChIKeyFCGMYOHQMJECKJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.63
Rot. Bonds2

About methyl 7-methoxynaphthalene-2-carboxylate

methyl 7-methoxynaphthalene-2-carboxylate (PubChem CID 10082020) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 7-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxynaphthalene-2-carboxylate
PubChem CID10082020
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namemethyl 7-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(OC)cc2c1
InChIInChI=1S/C13H12O3/c1-15-12-6-5-9-3-4-10(13(14)16-2)7-11(9)8-12/h3-8H,1-2H3
InChIKeyFCGMYOHQMJECKJ-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 7-methoxynaphthalene-2-carboxylate (CID 10082020) is methyl 7-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-methoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-methoxynaphthalene-2-carboxylate is COC(=O)c1ccc2ccc(OC)cc2c1.
What is the InChIKey of methyl 7-methoxynaphthalene-2-carboxylate?
The InChIKey is FCGMYOHQMJECKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-12-6-5-9-3-4-10(13(14)16-2)7-11(9)8-12/h3-8H,1-2H3.
What are the key properties of methyl 7-methoxynaphthalene-2-carboxylate?
methyl 7-methoxynaphthalene-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 10082020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).