methyl 2-hydroxynaphthalene-1-carboxylate

C12H10O3 — CID 598533

IUPACmethyl 2-hydroxynaphthalene-1-carboxylate
SMILESCOC(=O)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H10O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7,13H,1H3
InChIKeyLEENMPKUUNPLHM-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.33
Rot. Bonds1

About methyl 2-hydroxynaphthalene-1-carboxylate

methyl 2-hydroxynaphthalene-1-carboxylate (PubChem CID 598533) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-hydroxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxynaphthalene-1-carboxylate
PubChem CID598533
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namemethyl 2-hydroxynaphthalene-1-carboxylate
SMILESCOC(=O)c1c(O)ccc2ccccc12
InChIInChI=1S/C12H10O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7,13H,1H3
InChIKeyLEENMPKUUNPLHM-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxynaphthalene-1-carboxylate?
The IUPAC name of methyl 2-hydroxynaphthalene-1-carboxylate (CID 598533) is methyl 2-hydroxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-hydroxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 2-hydroxynaphthalene-1-carboxylate is COC(=O)c1c(O)ccc2ccccc12.
What is the InChIKey of methyl 2-hydroxynaphthalene-1-carboxylate?
The InChIKey is LEENMPKUUNPLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7,13H,1H3.
What are the key properties of methyl 2-hydroxynaphthalene-1-carboxylate?
methyl 2-hydroxynaphthalene-1-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxynaphthalene-1-carboxylate is sourced from PubChem (CID 598533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).