ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate

C14H14O5 — CID 11425494

IUPACethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1c(O)cc2cc(OC)ccc2c1O
InChIInChI=1S/C14H14O5/c1-3-19-14(17)12-11(15)7-8-6-9(18-2)4-5-10(8)13(12)16/h4-7,15-16H,3H2,1-2H3
InChIKeyXOTUNYIGYGSVMP-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.44
Rot. Bonds3

About ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate

ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate (PubChem CID 11425494) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
PubChem CID11425494
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Nameethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1c(O)cc2cc(OC)ccc2c1O
InChIInChI=1S/C14H14O5/c1-3-19-14(17)12-11(15)7-8-6-9(18-2)4-5-10(8)13(12)16/h4-7,15-16H,3H2,1-2H3
InChIKeyXOTUNYIGYGSVMP-UHFFFAOYSA-N
XLogP2.44
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate (CID 11425494) is ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate is CCOC(=O)c1c(O)cc2cc(OC)ccc2c1O.
What is the InChIKey of ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate?
The InChIKey is XOTUNYIGYGSVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-3-19-14(17)12-11(15)7-8-6-9(18-2)4-5-10(8)13(12)16/h4-7,15-16H,3H2,1-2H3.
What are the key properties of ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate?
ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 11425494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).