1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene

C20H17F3O2 — CID 90128789

IUPAC1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene
SMILESCCCOc1ccc(-c2ccc3cc(OC)c(F)c(F)c3c2F)cc1
InChIInChI=1S/C20H17F3O2/c1-3-10-25-14-7-4-12(5-8-14)15-9-6-13-11-16(24-2)19(22)20(23)17(13)18(15)21/h4-9,11H,3,10H2,1-2H3
InChIKeyHWEOFMYTLBAOOX-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.72
Rot. Bonds5

About 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene

1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene (PubChem CID 90128789) has the molecular formula C20H17F3O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene.

Molecular Properties

Compound Name1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene
PubChem CID90128789
Molecular FormulaC20H17F3O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene
SMILESCCCOc1ccc(-c2ccc3cc(OC)c(F)c(F)c3c2F)cc1
InChIInChI=1S/C20H17F3O2/c1-3-10-25-14-7-4-12(5-8-14)15-9-6-13-11-16(24-2)19(22)20(23)17(13)18(15)21/h4-9,11H,3,10H2,1-2H3
InChIKeyHWEOFMYTLBAOOX-UHFFFAOYSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene
CID 159551358
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
2,6-difluoro-3-(4-propoxyphenyl)pyridine
CID 19765788
2,3-difluoro-4-(4-propoxyphenyl)benzonitrile
CID 14548496
1-[[4-(4-butoxy-2-fluorophenyl)phenyl]methoxy]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89429715
3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(6-methoxyhexoxy)phenyl]benzene
CID 90049279
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene?
The IUPAC name of 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene (CID 90128789) is 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene.
What is the SMILES notation for 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene?
The canonical SMILES for 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene is CCCOc1ccc(-c2ccc3cc(OC)c(F)c(F)c3c2F)cc1.
What is the InChIKey of 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene?
The InChIKey is HWEOFMYTLBAOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O2/c1-3-10-25-14-7-4-12(5-8-14)15-9-6-13-11-16(24-2)19(22)20(23)17(13)18(15)21/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene?
1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene has a molecular weight of 346.35 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene is sourced from PubChem (CID 90128789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).