1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene

C24H23F3O — CID 70961305

IUPAC1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene
SMILESCCCc1ccc(-c2ccc(OCc3ccc(CC)c(F)c3F)cc2)cc1F
InChIInChI=1S/C24H23F3O/c1-3-5-18-7-8-19(14-22(18)25)17-10-12-21(13-11-17)28-15-20-9-6-16(4-2)23(26)24(20)27/h6-14H,3-5,15H2,1-2H3
InChIKeyGFEMHPVVLQBDOY-UHFFFAOYSA-N
MW384.44 g/mol
LogP6.86
Rot. Bonds7

About 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene

1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene (PubChem CID 70961305) has the molecular formula C24H23F3O and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene
PubChem CID70961305
Molecular FormulaC24H23F3O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene
SMILESCCCc1ccc(-c2ccc(OCc3ccc(CC)c(F)c3F)cc2)cc1F
InChIInChI=1S/C24H23F3O/c1-3-5-18-7-8-19(14-22(18)25)17-10-12-21(13-11-17)28-15-20-9-6-16(4-2)23(26)24(20)27/h6-14H,3-5,15H2,1-2H3
InChIKeyGFEMHPVVLQBDOY-UHFFFAOYSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene 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

1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene
CID 58140954
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394
1,2,3-trifluoro-5-[[4-(4-propylphenyl)phenoxy]methyl]benzene
CID 90411734
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene
CID 58141784
2,3-difluoro-1-[4-[(3-fluoro-4-propylphenoxy)methyl]phenyl]-4-pentylbenzene
CID 58141396
1,2-difluoro-4-[[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]methoxy]benzene
CID 18513414
4-[3-fluoro-4-[(3,4,5-trifluorophenoxy)methyl]phenyl]benzenethiol
CID 139515354
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
1-[4-[2,2-difluoro-2-(3,4,5-trifluorophenoxy)ethoxy]phenyl]-2,3-difluoro-4-propylbenzene
CID 118858703
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene (CID 70961305) is 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene is CCCc1ccc(-c2ccc(OCc3ccc(CC)c(F)c3F)cc2)cc1F.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene?
The InChIKey is GFEMHPVVLQBDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O/c1-3-5-18-7-8-19(14-22(18)25)17-10-12-21(13-11-17)28-15-20-9-6-16(4-2)23(26)24(20)27/h6-14H,3-5,15H2,1-2H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene?
1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene has a molecular weight of 384.44 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene is sourced from PubChem (CID 70961305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).