1,3,7-trimethoxynaphthalene

C13H14O3 — CID 102088907

IUPAC1,3,7-trimethoxynaphthalene
SMILESCOc1cc(OC)c2cc(OC)ccc2c1
InChIInChI=1S/C13H14O3/c1-14-10-5-4-9-6-11(15-2)8-13(16-3)12(9)7-10/h4-8H,1-3H3
InChIKeyMEQGFDXLCWFGBH-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.87
Rot. Bonds3

About 1,3,7-trimethoxynaphthalene

1,3,7-trimethoxynaphthalene (PubChem CID 102088907) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1,3,7-trimethoxynaphthalene.

Molecular Properties

Compound Name1,3,7-trimethoxynaphthalene
PubChem CID102088907
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1,3,7-trimethoxynaphthalene
SMILESCOc1cc(OC)c2cc(OC)ccc2c1
InChIInChI=1S/C13H14O3/c1-14-10-5-4-9-6-11(15-2)8-13(16-3)12(9)7-10/h4-8H,1-3H3
InChIKeyMEQGFDXLCWFGBH-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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Related Compounds

7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
CID 138737035
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1,2-bis(7-methoxy-3-methylisoquinolin-1-yl)hydrazine
CID 10407059
1,3,6,8-tetramethoxyacridine
CID 175793272

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethoxynaphthalene?
The IUPAC name of 1,3,7-trimethoxynaphthalene (CID 102088907) is 1,3,7-trimethoxynaphthalene.
What is the SMILES notation for 1,3,7-trimethoxynaphthalene?
The canonical SMILES for 1,3,7-trimethoxynaphthalene is COc1cc(OC)c2cc(OC)ccc2c1.
What is the InChIKey of 1,3,7-trimethoxynaphthalene?
The InChIKey is MEQGFDXLCWFGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-14-10-5-4-9-6-11(15-2)8-13(16-3)12(9)7-10/h4-8H,1-3H3.
What are the key properties of 1,3,7-trimethoxynaphthalene?
1,3,7-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 1,3,7-trimethoxynaphthalene is sourced from PubChem (CID 102088907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).