1,2,3-trimethoxynaphthalene

C13H14O3 — CID 6431118

IUPAC1,2,3-trimethoxynaphthalene
SMILESCOc1cc2ccccc2c(OC)c1OC
InChIInChI=1S/C13H14O3/c1-14-11-8-9-6-4-5-7-10(9)12(15-2)13(11)16-3/h4-8H,1-3H3
InChIKeyRANYXVFYAIGDFE-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.87
Rot. Bonds3

About 1,2,3-trimethoxynaphthalene

1,2,3-trimethoxynaphthalene (PubChem CID 6431118) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1,2,3-trimethoxynaphthalene.

Molecular Properties

Compound Name1,2,3-trimethoxynaphthalene
PubChem CID6431118
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1,2,3-trimethoxynaphthalene
SMILESCOc1cc2ccccc2c(OC)c1OC
InChIInChI=1S/C13H14O3/c1-14-11-8-9-6-4-5-7-10(9)12(15-2)13(11)16-3/h4-8H,1-3H3
InChIKeyRANYXVFYAIGDFE-UHFFFAOYSA-N
XLogP2.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxynaphthalene?
The IUPAC name of 1,2,3-trimethoxynaphthalene (CID 6431118) is 1,2,3-trimethoxynaphthalene.
What is the SMILES notation for 1,2,3-trimethoxynaphthalene?
The canonical SMILES for 1,2,3-trimethoxynaphthalene is COc1cc2ccccc2c(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxynaphthalene?
The InChIKey is RANYXVFYAIGDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-14-11-8-9-6-4-5-7-10(9)12(15-2)13(11)16-3/h4-8H,1-3H3.
What are the key properties of 1,2,3-trimethoxynaphthalene?
1,2,3-trimethoxynaphthalene has a molecular weight of 218.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxynaphthalene is sourced from PubChem (CID 6431118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).