6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene

C17H16F2O — CID 142255976

IUPAC6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(F)c(Oc2ccc3c(c2)CCCC3)c(F)c1
InChIInChI=1S/C17H16F2O/c1-11-8-15(18)17(16(19)9-11)20-14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3
InChIKeyODJMFYWSZCARER-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.94
Rot. Bonds2

About 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene

6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 142255976) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID142255976
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(F)c(Oc2ccc3c(c2)CCCC3)c(F)c1
InChIInChI=1S/C17H16F2O/c1-11-8-15(18)17(16(19)9-11)20-14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3
InChIKeyODJMFYWSZCARER-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene 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

3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
CID 112648458
[4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 28966366
7-(2-fluoro-4-methylphenoxy)-3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 143156592
N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide
CID 139760288
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
CID 63513502
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
1-[5-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]ethanone
CID 63531904
3-fluoro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzonitrile
CID 102818056
5,6,7,8-tetrahydronaphthalen-2-yl 4-methylbenzenesulfonate
CID 10494583
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 23433219
[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 28946173

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene (CID 142255976) is 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene is Cc1cc(F)c(Oc2ccc3c(c2)CCCC3)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ODJMFYWSZCARER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-11-8-15(18)17(16(19)9-11)20-14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3.
What are the key properties of 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene?
6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 274.31 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-methylphenoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 142255976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).