6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene

C21H22O5 — CID 167089470

IUPAC6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene
SMILESCOc1cccc(OCc2ccc3c(OC)c(OC)ccc3c2)c1OC
InChIInChI=1S/C21H22O5/c1-22-17-6-5-7-19(21(17)25-4)26-13-14-8-10-16-15(12-14)9-11-18(23-2)20(16)24-3/h5-12H,13H2,1-4H3
InChIKeyKWFKIUPODVHBIE-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.45
Rot. Bonds7

About 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene

6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene (PubChem CID 167089470) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene.

Molecular Properties

Compound Name6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene
PubChem CID167089470
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene
SMILESCOc1cccc(OCc2ccc3c(OC)c(OC)ccc3c2)c1OC
InChIInChI=1S/C21H22O5/c1-22-17-6-5-7-19(21(17)25-4)26-13-14-8-10-16-15(12-14)9-11-18(23-2)20(16)24-3/h5-12H,13H2,1-4H3
InChIKeyKWFKIUPODVHBIE-UHFFFAOYSA-N
XLogP4.45
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
1-[(2-methoxynaphthalen-1-yl)methoxy]anthracene
CID 71427905
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
(7,8-dimethoxyphenanthren-2-yl)methyl-triphenylphosphanium bromide
CID 10674977
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
16-methoxy-8-phenylmethoxy-22-azapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 21258234
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
CID 139627675
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene?
The IUPAC name of 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene (CID 167089470) is 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene.
What is the SMILES notation for 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene?
The canonical SMILES for 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene is COc1cccc(OCc2ccc3c(OC)c(OC)ccc3c2)c1OC.
What is the InChIKey of 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene?
The InChIKey is KWFKIUPODVHBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O5/c1-22-17-6-5-7-19(21(17)25-4)26-13-14-8-10-16-15(12-14)9-11-18(23-2)20(16)24-3/h5-12H,13H2,1-4H3.
What are the key properties of 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene?
6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene has a molecular weight of 354.40 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene is sourced from PubChem (CID 167089470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).