ethyl 4-hydroxynaphthalene-2-carboxylate

C13H12O3 — CID 13080945

IUPACethyl 4-hydroxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(O)c2ccccc2c1
InChIInChI=1S/C13H12O3/c1-2-16-13(15)10-7-9-5-3-4-6-11(9)12(14)8-10/h3-8,14H,2H2,1H3
InChIKeyQMCMRBCASLXWFT-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.72
Rot. Bonds2

About ethyl 4-hydroxynaphthalene-2-carboxylate

ethyl 4-hydroxynaphthalene-2-carboxylate (PubChem CID 13080945) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 4-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxynaphthalene-2-carboxylate
PubChem CID13080945
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Nameethyl 4-hydroxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(O)c2ccccc2c1
InChIInChI=1S/C13H12O3/c1-2-16-13(15)10-7-9-5-3-4-6-11(9)12(14)8-10/h3-8,14H,2H2,1H3
InChIKeyQMCMRBCASLXWFT-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 4-hydroxynaphthalene-2-carboxylate (CID 13080945) is ethyl 4-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-hydroxynaphthalene-2-carboxylate is CCOC(=O)c1cc(O)c2ccccc2c1.
What is the InChIKey of ethyl 4-hydroxynaphthalene-2-carboxylate?
The InChIKey is QMCMRBCASLXWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-16-13(15)10-7-9-5-3-4-6-11(9)12(14)8-10/h3-8,14H,2H2,1H3.
What are the key properties of ethyl 4-hydroxynaphthalene-2-carboxylate?
ethyl 4-hydroxynaphthalene-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 13080945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).