2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene

C22H22F2OS — CID 143775720

IUPAC2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(CCC)s3)cc2)c(F)c1F
InChIInChI=1S/C22H22F2OS/c1-3-5-17-10-13-20(26-17)16-8-6-15(7-9-16)18-11-12-19(25-14-4-2)22(24)21(18)23/h6-13H,3-5,14H2,1-2H3
InChIKeyYLXIHCFZCVGSRR-UHFFFAOYSA-N
MW372.48 g/mol
LogP7.10
Rot. Bonds7

About 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene

2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene (PubChem CID 143775720) has the molecular formula C22H22F2OS and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene.

Molecular Properties

Compound Name2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
PubChem CID143775720
Molecular FormulaC22H22F2OS
Molecular Weight372.48 g/mol
Exact Mass372.14
IUPAC Name2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(CCC)s3)cc2)c(F)c1F
InChIInChI=1S/C22H22F2OS/c1-3-5-17-10-13-20(26-17)16-8-6-15(7-9-16)18-11-12-19(25-14-4-2)22(24)21(18)23/h6-13H,3-5,14H2,1-2H3
InChIKeyYLXIHCFZCVGSRR-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.48
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde
CID 143775739
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
CID 172603717
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
CID 170655022
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2,3-difluorophenyl]-2-propyl-1,3-dioxane
CID 67736904
2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene
CID 59775355
1-dodecoxy-4-[4-(4-dodecylphenyl)phenyl]-2,3-difluorobenzene
CID 54324637
1-decoxy-2,3-difluoro-4-[4-(4-pentylphenyl)phenyl]benzene
CID 54447288

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene?
The IUPAC name of 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene (CID 143775720) is 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene.
What is the SMILES notation for 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene?
The canonical SMILES for 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene is CCCOc1ccc(-c2ccc(-c3ccc(CCC)s3)cc2)c(F)c1F.
What is the InChIKey of 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene?
The InChIKey is YLXIHCFZCVGSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2OS/c1-3-5-17-10-13-20(26-17)16-8-6-15(7-9-16)18-11-12-19(25-14-4-2)22(24)21(18)23/h6-13H,3-5,14H2,1-2H3.
What are the key properties of 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene?
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene has a molecular weight of 372.48 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene is sourced from PubChem (CID 143775720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).