3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene

C19H18F2O — CID 139961429

IUPAC3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
SMILESCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1
InChIInChI=1S/C19H18F2O/c1-3-12-4-7-16(17(20)8-12)14-6-5-13-11-19(22-2)18(21)10-15(13)9-14/h4,7-11H,3,5-6H2,1-2H3
InChIKeyZAIGSENQYDRUNY-UHFFFAOYSA-N
MW300.35 g/mol
LogP5.02
Rot. Bonds3

About 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene

3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene (PubChem CID 139961429) has the molecular formula C19H18F2O and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
PubChem CID139961429
Molecular FormulaC19H18F2O
Molecular Weight300.35 g/mol
Exact Mass300.13
IUPAC Name3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
SMILESCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1
InChIInChI=1S/C19H18F2O/c1-3-12-4-7-16(17(20)8-12)14-6-5-13-11-19(22-2)18(21)10-15(13)9-14/h4,7-11H,3,5-6H2,1-2H3
InChIKeyZAIGSENQYDRUNY-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene 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-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 139961212
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961089
3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961130
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115
3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961178
6-fluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-7-methoxy-1,2-dihydronaphthalene
CID 139961109
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-(4-ethyl-2-fluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960554
3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961102
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961395
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene (CID 139961429) is 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene is CCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1.
What is the InChIKey of 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The InChIKey is ZAIGSENQYDRUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O/c1-3-12-4-7-16(17(20)8-12)14-6-5-13-11-19(22-2)18(21)10-15(13)9-14/h4,7-11H,3,5-6H2,1-2H3.
What are the key properties of 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene has a molecular weight of 300.35 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 139961429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).