methyl 1-methylnaphthalene-2-carboxylate

C13H12O2 — CID 13491498

IUPACmethyl 1-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1C
InChIInChI=1S/C13H12O2/c1-9-11-6-4-3-5-10(11)7-8-12(9)13(14)15-2/h3-8H,1-2H3
InChIKeyRJCOLHYGLMOBPX-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.93
Rot. Bonds1

About methyl 1-methylnaphthalene-2-carboxylate

methyl 1-methylnaphthalene-2-carboxylate (PubChem CID 13491498) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 1-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylnaphthalene-2-carboxylate
PubChem CID13491498
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Namemethyl 1-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1C
InChIInChI=1S/C13H12O2/c1-9-11-6-4-3-5-10(11)7-8-12(9)13(14)15-2/h3-8H,1-2H3
InChIKeyRJCOLHYGLMOBPX-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxycarbonylnaphthalen-1-yl)boronic acid
CID 155682723
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
dimethyl picene-13,14-dicarboxylate
CID 101053496
methyl 1-isocyanatonaphthalene-2-carboxylate
CID 169355286
methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate
CID 134941672
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
CID 177253516

Frequently Asked Questions

What is the IUPAC name of methyl 1-methylnaphthalene-2-carboxylate?
The IUPAC name of methyl 1-methylnaphthalene-2-carboxylate (CID 13491498) is methyl 1-methylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-methylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-methylnaphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1C.
What is the InChIKey of methyl 1-methylnaphthalene-2-carboxylate?
The InChIKey is RJCOLHYGLMOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-11-6-4-3-5-10(11)7-8-12(9)13(14)15-2/h3-8H,1-2H3.
What are the key properties of methyl 1-methylnaphthalene-2-carboxylate?
methyl 1-methylnaphthalene-2-carboxylate has a molecular weight of 200.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 13491498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).