4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene

C13H15F3O — CID 84737273

IUPAC4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
SMILESCOC1(C(F)(F)F)CCCc2ccc(C)cc21
InChIInChI=1S/C13H15F3O/c1-9-5-6-10-4-3-7-12(17-2,11(10)8-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyBJUWFZISSNCUBC-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.74
Rot. Bonds1

About 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene

4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene (PubChem CID 84737273) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
PubChem CID84737273
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
SMILESCOC1(C(F)(F)F)CCCc2ccc(C)cc21
InChIInChI=1S/C13H15F3O/c1-9-5-6-10-4-3-7-12(17-2,11(10)8-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyBJUWFZISSNCUBC-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene (CID 84737273) is 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene is COC1(C(F)(F)F)CCCc2ccc(C)cc21.
What is the InChIKey of 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The InChIKey is BJUWFZISSNCUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-9-5-6-10-4-3-7-12(17-2,11(10)8-9)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene has a molecular weight of 244.26 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 84737273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).