1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene

C27H20F4O — CID 145190540

IUPAC1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(-c2ccc(CCc3ccc(-c4cccc(F)c4F)cc3)cc2)c(F)c1F
InChIInChI=1S/C27H20F4O/c1-32-24-16-15-22(26(30)27(24)31)20-13-9-18(10-14-20)6-5-17-7-11-19(12-8-17)21-3-2-4-23(28)25(21)29/h2-4,7-16H,5-6H2,1H3
InChIKeyPFACOWHTBKHRMJ-UHFFFAOYSA-N
MW436.45 g/mol
LogP7.37
Rot. Bonds6

About 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene

1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene (PubChem CID 145190540) has the molecular formula C27H20F4O and a molecular weight of 436.45 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene
PubChem CID145190540
Molecular FormulaC27H20F4O
Molecular Weight436.45 g/mol
Exact Mass436.15
IUPAC Name1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(-c2ccc(CCc3ccc(-c4cccc(F)c4F)cc3)cc2)c(F)c1F
InChIInChI=1S/C27H20F4O/c1-32-24-16-15-22(26(30)27(24)31)20-13-9-18(10-14-20)6-5-17-7-11-19(12-8-17)21-3-2-4-23(28)25(21)29/h2-4,7-16H,5-6H2,1H3
InChIKeyPFACOWHTBKHRMJ-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
CID 163764553
1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 142739583
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methoxybenzene
CID 121369860
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
CID 144969645
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
1-[4-[2-[4-(4-but-3-enylphenyl)phenyl]ethyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607362

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene?
The IUPAC name of 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene (CID 145190540) is 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene?
The canonical SMILES for 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene is COc1ccc(-c2ccc(CCc3ccc(-c4cccc(F)c4F)cc3)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene?
The InChIKey is PFACOWHTBKHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4O/c1-32-24-16-15-22(26(30)27(24)31)20-13-9-18(10-14-20)6-5-17-7-11-19(12-8-17)21-3-2-4-23(28)25(21)29/h2-4,7-16H,5-6H2,1H3.
What are the key properties of 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene?
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene has a molecular weight of 436.45 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 145190540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).