1,2,3,8-tetramethoxynaphthalene

C14H16O4 — CID 91328449

IUPAC1,2,3,8-tetramethoxynaphthalene
SMILESCOc1cc2cccc(OC)c2c(OC)c1OC
InChIInChI=1S/C14H16O4/c1-15-10-7-5-6-9-8-11(16-2)13(17-3)14(18-4)12(9)10/h5-8H,1-4H3
InChIKeyZWSRZWADEDXYAK-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.87
Rot. Bonds4

About 1,2,3,8-tetramethoxynaphthalene

1,2,3,8-tetramethoxynaphthalene (PubChem CID 91328449) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1,2,3,8-tetramethoxynaphthalene.

Molecular Properties

Compound Name1,2,3,8-tetramethoxynaphthalene
PubChem CID91328449
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1,2,3,8-tetramethoxynaphthalene
SMILESCOc1cc2cccc(OC)c2c(OC)c1OC
InChIInChI=1S/C14H16O4/c1-15-10-7-5-6-9-8-11(16-2)13(17-3)14(18-4)12(9)10/h5-8H,1-4H3
InChIKeyZWSRZWADEDXYAK-UHFFFAOYSA-N
XLogP2.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
2,3,4-trimethoxybenzo[8]annulene-5,6-dione
CID 71411380
6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
CID 118359993
1,8-dimethoxynaphthalen-2-amine
CID 115022882
5,6,7,8-tetramethoxypentacene-1,2,3,4-tetrone
CID 141185122
5-methoxybenzo[c]phenanthrene
CID 621003
1-methoxyanthracen-9-amine
CID 23131408
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
CID 176586497
5,6,7-trimethoxyphenanthren-2-ol
CID 11997529
2-fluoro-1,4,8-trimethoxynaphthalene
CID 11253337
8-hydroxy-1,2,3-trimethoxybenzo[a]anthracene-7,12-dione
CID 11175958

Frequently Asked Questions

What is the IUPAC name of 1,2,3,8-tetramethoxynaphthalene?
The IUPAC name of 1,2,3,8-tetramethoxynaphthalene (CID 91328449) is 1,2,3,8-tetramethoxynaphthalene.
What is the SMILES notation for 1,2,3,8-tetramethoxynaphthalene?
The canonical SMILES for 1,2,3,8-tetramethoxynaphthalene is COc1cc2cccc(OC)c2c(OC)c1OC.
What is the InChIKey of 1,2,3,8-tetramethoxynaphthalene?
The InChIKey is ZWSRZWADEDXYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-15-10-7-5-6-9-8-11(16-2)13(17-3)14(18-4)12(9)10/h5-8H,1-4H3.
What are the key properties of 1,2,3,8-tetramethoxynaphthalene?
1,2,3,8-tetramethoxynaphthalene has a molecular weight of 248.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8-tetramethoxynaphthalene is sourced from PubChem (CID 91328449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).