2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene

C28H32F2O2 — CID 59928905

IUPAC2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc(COC)cc3)c(F)c2F)cc1
InChIInChI=1S/C28H32F2O2/c1-3-4-5-6-7-8-19-32-24-15-13-23(14-16-24)26-18-17-25(27(29)28(26)30)22-11-9-21(10-12-22)20-31-2/h9-18H,3-8,19-20H2,1-2H3
InChIKeyWHNIPAGNBYQBFX-UHFFFAOYSA-N
MW438.56 g/mol
LogP8.18
Rot. Bonds12

About 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene

2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene (PubChem CID 59928905) has the molecular formula C28H32F2O2 and a molecular weight of 438.56 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene
PubChem CID59928905
Molecular FormulaC28H32F2O2
Molecular Weight438.56 g/mol
Exact Mass438.24
IUPAC Name2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc(COC)cc3)c(F)c2F)cc1
InChIInChI=1S/C28H32F2O2/c1-3-4-5-6-7-8-19-32-24-15-13-23(14-16-24)26-18-17-25(27(29)28(26)30)22-11-9-21(10-12-22)20-31-2/h9-18H,3-8,19-20H2,1-2H3
InChIKeyWHNIPAGNBYQBFX-UHFFFAOYSA-N
XLogP8.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 88626083
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
CID 162480776
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
7-[4-[2,3-difluoro-4-(4-hexylphenyl)phenyl]phenoxy]heptan-1-ol
CID 91403300
4-(4-decoxyphenyl)-2,3-difluorophenol
CID 19430954
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(6-methoxyhexoxy)phenyl]benzene
CID 90049279
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
2,3-difluoro-4-(4-hexoxyphenyl)benzonitrile
CID 14548499

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene (CID 59928905) is 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene is CCCCCCCCOc1ccc(-c2ccc(-c3ccc(COC)cc3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene?
The InChIKey is WHNIPAGNBYQBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2O2/c1-3-4-5-6-7-8-19-32-24-15-13-23(14-16-24)26-18-17-25(27(29)28(26)30)22-11-9-21(10-12-22)20-31-2/h9-18H,3-8,19-20H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene?
2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene has a molecular weight of 438.56 g/mol, XLogP of 8.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene is sourced from PubChem (CID 59928905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).