methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate

C13H12O3 — CID 177113788

IUPACmethyl 8-hydroxy-5-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(C)ccc(O)c2c1
InChIInChI=1S/C13H12O3/c1-8-3-6-12(14)11-7-9(13(15)16-2)4-5-10(8)11/h3-7,14H,1-2H3
InChIKeyDINRARKJAXDGCO-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.64
Rot. Bonds1

About methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate

methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate (PubChem CID 177113788) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-5-methylnaphthalene-2-carboxylate
PubChem CID177113788
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namemethyl 8-hydroxy-5-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(C)ccc(O)c2c1
InChIInChI=1S/C13H12O3/c1-8-3-6-12(14)11-7-9(13(15)16-2)4-5-10(8)11/h3-7,14H,1-2H3
InChIKeyDINRARKJAXDGCO-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
dimethyl dibenzotellurophene-3,7-dicarboxylate
CID 162715291
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
methyl 5,8-diiodonaphthalene-2-carboxylate
CID 121007649
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 4-hydrazinyl-3-hydroxybenzoate
CID 70230568
5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid
CID 154279183
methyl 3-hydroxy-1-benzothiophene-5-carboxylate
CID 123493767

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate?
The IUPAC name of methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate (CID 177113788) is methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate is COC(=O)c1ccc2c(C)ccc(O)c2c1.
What is the InChIKey of methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate?
The InChIKey is DINRARKJAXDGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-3-6-12(14)11-7-9(13(15)16-2)4-5-10(8)11/h3-7,14H,1-2H3.
What are the key properties of methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate?
methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 177113788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).