2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene

C21H18F2OS — CID 174244261

IUPAC2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
SMILESCc1ccc(-c2ccc(-c3ccc(OCC4CC4)c(F)c3F)cc2)s1
InChIInChI=1S/C21H18F2OS/c1-13-2-11-19(25-13)16-7-5-15(6-8-16)17-9-10-18(21(23)20(17)22)24-12-14-3-4-14/h2,5-11,14H,3-4,12H2,1H3
InChIKeyZFFZNALBQGDZGL-UHFFFAOYSA-N
MW356.44 g/mol
LogP6.46
Rot. Bonds5

About 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene

2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene (PubChem CID 174244261) has the molecular formula C21H18F2OS and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
PubChem CID174244261
Molecular FormulaC21H18F2OS
Molecular Weight356.44 g/mol
Exact Mass356.10
IUPAC Name2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
SMILESCc1ccc(-c2ccc(-c3ccc(OCC4CC4)c(F)c3F)cc2)s1
InChIInChI=1S/C21H18F2OS/c1-13-2-11-19(25-13)16-7-5-15(6-8-16)17-9-10-18(21(23)20(17)22)24-12-14-3-4-14/h2,5-11,14H,3-4,12H2,1H3
InChIKeyZFFZNALBQGDZGL-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
CID 174244267
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
CID 172603717
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
2-[4-[4-(cyclobutylmethoxy)-2,3-difluorophenyl]-3-fluorophenyl]-5-iodothiophene
CID 172603684
1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 77471031
1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19103772
1-[4-[4-[(4-ethenylcyclohexyl)methoxy]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607241
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;neodymium;niobium;hexakis(sodiosodium)
CID 159283283
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylphenyl)cyclohex-2-en-1-yl]phenyl]benzene
CID 139334431
2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
CID 171813065
2-(cyclopropylmethyl)-5-[2,3-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 166999710
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene?
The IUPAC name of 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene (CID 174244261) is 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene.
What is the SMILES notation for 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene?
The canonical SMILES for 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene is Cc1ccc(-c2ccc(-c3ccc(OCC4CC4)c(F)c3F)cc2)s1.
What is the InChIKey of 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene?
The InChIKey is ZFFZNALBQGDZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2OS/c1-13-2-11-19(25-13)16-7-5-15(6-8-16)17-9-10-18(21(23)20(17)22)24-12-14-3-4-14/h2,5-11,14H,3-4,12H2,1H3.
What are the key properties of 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene?
2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene has a molecular weight of 356.44 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene is sourced from PubChem (CID 174244261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).