1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene

C18H18F4O2 — CID 90128779

IUPAC1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(CCOC)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H18F4O2/c1-3-9-24-14-7-6-13(17(21)18(14)22)12-5-4-11(8-10-23-2)15(19)16(12)20/h4-7H,3,8-10H2,1-2H3
InChIKeyPTEBUXSTGKBEGV-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.89
Rot. Bonds7

About 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene

1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene (PubChem CID 90128779) has the molecular formula C18H18F4O2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
PubChem CID90128779
Molecular FormulaC18H18F4O2
Molecular Weight342.33 g/mol
Exact Mass342.12
IUPAC Name1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(CCOC)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H18F4O2/c1-3-9-24-14-7-6-13(17(21)18(14)22)12-5-4-11(8-10-23-2)15(19)16(12)20/h4-7H,3,8-10H2,1-2H3
InChIKeyPTEBUXSTGKBEGV-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5,6-tetrafluoro-2-(2-methoxyethyl)-7-propoxyphenanthrene
CID 90128808
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene
CID 90128765
4,6-difluoro-3-propoxy-7-propyldibenzofuran
CID 118372761
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene
CID 90128758
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
3-butoxy-6-(4-ethoxy-2,3-difluorophenyl)-2-fluorophenol
CID 148736390
1,8-difluoro-2-hexyl-7-propoxy-9,10-dihydrophenanthrene
CID 174404195
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene
CID 118188447
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene?
The IUPAC name of 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene (CID 90128779) is 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene.
What is the SMILES notation for 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene?
The canonical SMILES for 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene is CCCOc1ccc(-c2ccc(CCOC)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene?
The InChIKey is PTEBUXSTGKBEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4O2/c1-3-9-24-14-7-6-13(17(21)18(14)22)12-5-4-11(8-10-23-2)15(19)16(12)20/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene?
1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene has a molecular weight of 342.33 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene is sourced from PubChem (CID 90128779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).