methyl 5,8-dimethoxynaphthalene-1-carboxylate

C14H14O4 — CID 14509265

IUPACmethyl 5,8-dimethoxynaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c(OC)ccc(OC)c12
InChIInChI=1S/C14H14O4/c1-16-11-7-8-12(17-2)13-9(11)5-4-6-10(13)14(15)18-3/h4-8H,1-3H3
InChIKeyBCAWDISSJPVXDN-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.64
Rot. Bonds3

About methyl 5,8-dimethoxynaphthalene-1-carboxylate

methyl 5,8-dimethoxynaphthalene-1-carboxylate (PubChem CID 14509265) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 5,8-dimethoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5,8-dimethoxynaphthalene-1-carboxylate
PubChem CID14509265
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namemethyl 5,8-dimethoxynaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c(OC)ccc(OC)c12
InChIInChI=1S/C14H14O4/c1-16-11-7-8-12(17-2)13-9(11)5-4-6-10(13)14(15)18-3/h4-8H,1-3H3
InChIKeyBCAWDISSJPVXDN-UHFFFAOYSA-N
XLogP2.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5,8-dimethoxynaphthalene-1-carboxylate?
The IUPAC name of methyl 5,8-dimethoxynaphthalene-1-carboxylate (CID 14509265) is methyl 5,8-dimethoxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 5,8-dimethoxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 5,8-dimethoxynaphthalene-1-carboxylate is COC(=O)c1cccc2c(OC)ccc(OC)c12.
What is the InChIKey of methyl 5,8-dimethoxynaphthalene-1-carboxylate?
The InChIKey is BCAWDISSJPVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-16-11-7-8-12(17-2)13-9(11)5-4-6-10(13)14(15)18-3/h4-8H,1-3H3.
What are the key properties of methyl 5,8-dimethoxynaphthalene-1-carboxylate?
methyl 5,8-dimethoxynaphthalene-1-carboxylate has a molecular weight of 246.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,8-dimethoxynaphthalene-1-carboxylate is sourced from PubChem (CID 14509265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).