3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine

C19H23F2NO2 — CID 146516099

IUPAC3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine
SMILESCCCCCOc1c(F)cc(-c2cccnc2OC(C)C)cc1F
InChIInChI=1S/C19H23F2NO2/c1-4-5-6-10-23-18-16(20)11-14(12-17(18)21)15-8-7-9-22-19(15)24-13(2)3/h7-9,11-13H,4-6,10H2,1-3H3
InChIKeyJVDDBZHLENRYJO-UHFFFAOYSA-N
MW335.39 g/mol
LogP5.38
Rot. Bonds8

About 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine

3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine (PubChem CID 146516099) has the molecular formula C19H23F2NO2 and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine
PubChem CID146516099
Molecular FormulaC19H23F2NO2
Molecular Weight335.39 g/mol
Exact Mass335.17
IUPAC Name3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine
SMILESCCCCCOc1c(F)cc(-c2cccnc2OC(C)C)cc1F
InChIInChI=1S/C19H23F2NO2/c1-4-5-6-10-23-18-16(20)11-14(12-17(18)21)15-8-7-9-22-19(15)24-13(2)3/h7-9,11-13H,4-6,10H2,1-3H3
InChIKeyJVDDBZHLENRYJO-UHFFFAOYSA-N
XLogP5.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6-hexakis(4-decoxy-3,5-difluorophenyl)benzene
CID 101373438
1,3-difluoro-2-octoxy-5-phenylbenzene
CID 15176798
4-[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]butanoic acid
CID 86346184
2-butoxy-1,3-difluoro-5-[4-(4-methylphenyl)phenyl]benzene
CID 145222957
3,5-difluoro-4-hexoxybenzenethiol
CID 91657934
2-butoxy-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 67842427
2,3-didecoxypyridine
CID 151922374
5-(bromomethyl)-1,3-difluoro-2-hexoxybenzene
CID 79887890
5-(bromomethyl)-2-decoxy-1,3-difluorobenzene
CID 79881356
5-ethynyl-1,3-difluoro-2-pentoxybenzene
CID 176587075
(2S)-2-[[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-2-pyridinyl]oxy]propan-1-ol;sulfane
CID 162151654
3-methyl-2-propan-2-yloxypyridine
CID 21334096

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine?
The IUPAC name of 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine (CID 146516099) is 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine.
What is the SMILES notation for 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine?
The canonical SMILES for 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine is CCCCCOc1c(F)cc(-c2cccnc2OC(C)C)cc1F.
What is the InChIKey of 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine?
The InChIKey is JVDDBZHLENRYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2/c1-4-5-6-10-23-18-16(20)11-14(12-17(18)21)15-8-7-9-22-19(15)24-13(2)3/h7-9,11-13H,4-6,10H2,1-3H3.
What are the key properties of 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine?
3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine has a molecular weight of 335.39 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-pentoxyphenyl)-2-propan-2-yloxypyridine is sourced from PubChem (CID 146516099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).