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

C22H24F2O — CID 139961212

IUPAC6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
SMILESCCCCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1
InChIInChI=1S/C22H24F2O/c1-3-4-5-6-15-7-10-19(20(23)11-15)17-9-8-16-14-22(25-2)21(24)13-18(16)12-17/h7,10-14H,3-6,8-9H2,1-2H3
InChIKeyCHRKAEMECMWGKT-UHFFFAOYSA-N
MW342.43 g/mol
LogP6.19
Rot. Bonds6

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

6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene (PubChem CID 139961212) has the molecular formula C22H24F2O and a molecular weight of 342.43 g/mol. Its IUPAC name is 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
PubChem CID139961212
Molecular FormulaC22H24F2O
Molecular Weight342.43 g/mol
Exact Mass342.18
IUPAC Name6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
SMILESCCCCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1
InChIInChI=1S/C22H24F2O/c1-3-4-5-6-15-7-10-19(20(23)11-15)17-9-8-16-14-22(25-2)21(24)13-18(16)12-17/h7,10-14H,3-6,8-9H2,1-2H3
InChIKeyCHRKAEMECMWGKT-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115
6-fluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-7-methoxy-1,2-dihydronaphthalene
CID 139961109
3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961178
3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961130
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961089
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961395
6,8-difluoro-3-(2-fluoro-4-pentylphenyl)-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952140
3-(4-butylphenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961229
3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961103
3-(4-butyl-2,6-difluorophenyl)-6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139961399

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene?
The IUPAC name of 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene (CID 139961212) is 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene?
The canonical SMILES for 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene is CCCCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1.
What is the InChIKey of 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene?
The InChIKey is CHRKAEMECMWGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2O/c1-3-4-5-6-15-7-10-19(20(23)11-15)17-9-8-16-14-22(25-2)21(24)13-18(16)12-17/h7,10-14H,3-6,8-9H2,1-2H3.
What are the key properties of 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene?
6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene has a molecular weight of 342.43 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 139961212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).