2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene

C19H17FO — CID 139860447

IUPAC2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene
SMILESCCc1ccc2cc(-c3ccc(OC)cc3)ccc2c1F
InChIInChI=1S/C19H17FO/c1-3-13-4-5-16-12-15(8-11-18(16)19(13)20)14-6-9-17(21-2)10-7-14/h4-12H,3H2,1-2H3
InChIKeyLFVXBQZKQPUORV-UHFFFAOYSA-N
MW280.34 g/mol
LogP5.22
Rot. Bonds3

About 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene

2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene (PubChem CID 139860447) has the molecular formula C19H17FO and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene.

Molecular Properties

Compound Name2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene
PubChem CID139860447
Molecular FormulaC19H17FO
Molecular Weight280.34 g/mol
Exact Mass280.13
IUPAC Name2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene
SMILESCCc1ccc2cc(-c3ccc(OC)cc3)ccc2c1F
InChIInChI=1S/C19H17FO/c1-3-13-4-5-16-12-15(8-11-18(16)19(13)20)14-6-9-17(21-2)10-7-14/h4-12H,3H2,1-2H3
InChIKeyLFVXBQZKQPUORV-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene
CID 139863571
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875416
2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-1-fluoro-6-(4-propoxyphenyl)naphthalene
CID 139873058
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
CID 139874733
2-ethyl-4-(6-methoxynaphthalen-2-yl)phenol
CID 57242092
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-(4-pentoxyphenyl)naphthalene
CID 139874640
1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139871177
1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873720
1-fluoro-6-(4-heptylphenyl)-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874489
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871424

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene?
The IUPAC name of 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene (CID 139860447) is 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene.
What is the SMILES notation for 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene?
The canonical SMILES for 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene is CCc1ccc2cc(-c3ccc(OC)cc3)ccc2c1F.
What is the InChIKey of 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene?
The InChIKey is LFVXBQZKQPUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO/c1-3-13-4-5-16-12-15(8-11-18(16)19(13)20)14-6-9-17(21-2)10-7-14/h4-12H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene?
2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene has a molecular weight of 280.34 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene is sourced from PubChem (CID 139860447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).