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

C19H16F2OS — CID 172603717

IUPAC2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
SMILESCCOc1ccc(-c2ccc(-c3ccc(C)s3)cc2)c(F)c1F
InChIInChI=1S/C19H16F2OS/c1-3-22-16-10-9-15(18(20)19(16)21)13-5-7-14(8-6-13)17-11-4-12(2)23-17/h4-11H,3H2,1-2H3
InChIKeyOXMNHXLUEPGKDN-UHFFFAOYSA-N
MW330.40 g/mol
LogP6.07
Rot. Bonds4

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

2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene (PubChem CID 172603717) has the molecular formula C19H16F2OS and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
PubChem CID172603717
Molecular FormulaC19H16F2OS
Molecular Weight330.40 g/mol
Exact Mass330.09
IUPAC Name2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
SMILESCCOc1ccc(-c2ccc(-c3ccc(C)s3)cc2)c(F)c1F
InChIInChI=1S/C19H16F2OS/c1-3-22-16-10-9-15(18(20)19(16)21)13-5-7-14(8-6-13)17-11-4-12(2)23-17/h4-11H,3H2,1-2H3
InChIKeyOXMNHXLUEPGKDN-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.40
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
CID 174244261
2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
CID 174244267
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720
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]ethanol
CID 118022111
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylphenyl)cyclohex-2-en-1-yl]phenyl]benzene
CID 139334431
1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436006
1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
CID 22008080
1-ethoxy-2,3-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 19436318
[4-ethoxy-3-(5-methylthiophen-2-yl)phenyl]methanol
CID 172650556
2-(4-ethoxy-2,3-difluorophenyl)thiophene
CID 143775731

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene?
The IUPAC name of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene (CID 172603717) is 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene.
What is the SMILES notation for 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene?
The canonical SMILES for 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene is CCOc1ccc(-c2ccc(-c3ccc(C)s3)cc2)c(F)c1F.
What is the InChIKey of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene?
The InChIKey is OXMNHXLUEPGKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2OS/c1-3-22-16-10-9-15(18(20)19(16)21)13-5-7-14(8-6-13)17-11-4-12(2)23-17/h4-11H,3H2,1-2H3.
What are the key properties of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene?
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene has a molecular weight of 330.40 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene is sourced from PubChem (CID 172603717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).