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

C19H19FO — CID 139961130

IUPAC3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
SMILESCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)cc1
InChIInChI=1S/C19H19FO/c1-3-13-4-6-14(7-5-13)15-8-9-16-12-19(21-2)18(20)11-17(16)10-15/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyJOSBLKNXBKDNFH-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.88
Rot. Bonds3

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

3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene (PubChem CID 139961130) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
PubChem CID139961130
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
SMILESCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)cc1
InChIInChI=1S/C19H19FO/c1-3-13-4-6-14(7-5-13)15-8-9-16-12-19(21-2)18(20)11-17(16)10-15/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyJOSBLKNXBKDNFH-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961102
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-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961178
3-(4-butylphenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961229
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
6-fluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-7-methoxy-1,2-dihydronaphthalene
CID 139961109
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
3-(4-butylphenyl)-7-fluoro-1,2-dihydronaphthalene;3-(4-ethylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene;7-fluoro-3-(4-pentylphenyl)-1,2-dihydronaphthalene
CID 158815759

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene (CID 139961130) is 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene is CCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The InChIKey is JOSBLKNXBKDNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO/c1-3-13-4-6-14(7-5-13)15-8-9-16-12-19(21-2)18(20)11-17(16)10-15/h4-7,10-12H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene has a molecular weight of 282.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 139961130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).