2,3,6,7-tetramethoxy-1-methylnaphthalene

C15H18O4 — CID 163473055

IUPAC2,3,6,7-tetramethoxy-1-methylnaphthalene
SMILESCOc1cc2cc(OC)c(OC)c(C)c2cc1OC
InChIInChI=1S/C15H18O4/c1-9-11-8-13(17-3)12(16-2)6-10(11)7-14(18-4)15(9)19-5/h6-8H,1-5H3
InChIKeyBYEBZUBEMDLQSX-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.18
Rot. Bonds4

About 2,3,6,7-tetramethoxy-1-methylnaphthalene

2,3,6,7-tetramethoxy-1-methylnaphthalene (PubChem CID 163473055) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,3,6,7-tetramethoxy-1-methylnaphthalene.

Molecular Properties

Compound Name2,3,6,7-tetramethoxy-1-methylnaphthalene
PubChem CID163473055
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2,3,6,7-tetramethoxy-1-methylnaphthalene
SMILESCOc1cc2cc(OC)c(OC)c(C)c2cc1OC
InChIInChI=1S/C15H18O4/c1-9-11-8-13(17-3)12(16-2)6-10(11)7-14(18-4)15(9)19-5/h6-8H,1-5H3
InChIKeyBYEBZUBEMDLQSX-UHFFFAOYSA-N
XLogP3.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dimethoxy-8-methylnaphthalen-2-yl)ethanamine
CID 12849306
1-iodo-4,5-dimethoxy-2,3-dimethylbenzene
CID 3257155
6,7-dimethoxy-2,3,5-trimethylquinoxaline;ethane
CID 142406263
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
8,9-dimethoxy-7-methylbenzo[b]quinolizin-5-ium bromide
CID 159315408
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
(6,7-dimethoxy-4-methylisoquinolin-3-yl)methanol
CID 11107234
5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
CID 5257820
8,9-dimethoxy-6-methylphenanthridine
CID 135040288

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethoxy-1-methylnaphthalene?
The IUPAC name of 2,3,6,7-tetramethoxy-1-methylnaphthalene (CID 163473055) is 2,3,6,7-tetramethoxy-1-methylnaphthalene.
What is the SMILES notation for 2,3,6,7-tetramethoxy-1-methylnaphthalene?
The canonical SMILES for 2,3,6,7-tetramethoxy-1-methylnaphthalene is COc1cc2cc(OC)c(OC)c(C)c2cc1OC.
What is the InChIKey of 2,3,6,7-tetramethoxy-1-methylnaphthalene?
The InChIKey is BYEBZUBEMDLQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9-11-8-13(17-3)12(16-2)6-10(11)7-14(18-4)15(9)19-5/h6-8H,1-5H3.
What are the key properties of 2,3,6,7-tetramethoxy-1-methylnaphthalene?
2,3,6,7-tetramethoxy-1-methylnaphthalene has a molecular weight of 262.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethoxy-1-methylnaphthalene is sourced from PubChem (CID 163473055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).