1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene

C19H22O — CID 83056818

IUPAC1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1cccc(C)c1OCC1CCCc2ccccc21
InChIInChI=1S/C19H22O/c1-14-7-5-8-15(2)19(14)20-13-17-11-6-10-16-9-3-4-12-18(16)17/h3-5,7-9,12,17H,6,10-11,13H2,1-2H3
InChIKeyOLLMZHFFAWEVKZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.80
Rot. Bonds3

About 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene

1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 83056818) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID83056818
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1cccc(C)c1OCC1CCCc2ccccc21
InChIInChI=1S/C19H22O/c1-14-7-5-8-15(2)19(14)20-13-17-11-6-10-16-9-3-4-12-18(16)17/h3-5,7-9,12,17H,6,10-11,13H2,1-2H3
InChIKeyOLLMZHFFAWEVKZ-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792
1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 115956622
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771297
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771052
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
CID 116793965
3-bromo-5-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771567
[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 114318313
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63772089

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene (CID 83056818) is 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene is Cc1cccc(C)c1OCC1CCCc2ccccc21.
What is the InChIKey of 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OLLMZHFFAWEVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-14-7-5-8-15(2)19(14)20-13-17-11-6-10-16-9-3-4-12-18(16)17/h3-5,7-9,12,17H,6,10-11,13H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene?
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 266.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 83056818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).