methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate

C13H12O3 — CID 20579934

IUPACmethyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2ccccc2c1C
InChIInChI=1S/C13H12O3/c1-8-9-5-3-4-6-10(9)12(14)7-11(8)13(15)16-2/h3-7,14H,1-2H3
InChIKeyMGUSVEFWMJTCSW-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.64
Rot. Bonds1

About methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate

methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate (PubChem CID 20579934) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
PubChem CID20579934
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namemethyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2ccccc2c1C
InChIInChI=1S/C13H12O3/c1-8-9-5-3-4-6-10(9)12(14)7-11(8)13(15)16-2/h3-7,14H,1-2H3
InChIKeyMGUSVEFWMJTCSW-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

5-hydroxy-7-methoxycarbonyl-8-methylnaphthalene-2-carboxylic acid
CID 154279183
methyl 1-hydroxy-9-methoxy-4-methylphenanthrene-3-carboxylate
CID 22412484
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 1-hydroxy-4-methylnaphtho[2,1-b][1]benzofuran-3-carboxylate
CID 19030293
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10706656
dimethyl 4-hydroxyazulene-1,3-dicarboxylate
CID 10682741
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-1-methylnaphthalene-2-carboxamide
CID 143253125
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate (CID 20579934) is methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate is COC(=O)c1cc(O)c2ccccc2c1C.
What is the InChIKey of methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate?
The InChIKey is MGUSVEFWMJTCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-9-5-3-4-6-10(9)12(14)7-11(8)13(15)16-2/h3-7,14H,1-2H3.
What are the key properties of methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate?
methyl 4-hydroxy-1-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 4-hydroxy-1-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 20579934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).