1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene

C24H24F2O — CID 19767204

IUPAC1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(CCc3ccc(CC)cc3)cc2)c(F)c1F
InChIInChI=1S/C24H24F2O/c1-3-17-5-7-18(8-6-17)9-10-19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25/h5-8,11-16H,3-4,9-10H2,1-2H3
InChIKeyGXGQGRBDAAKDSM-UHFFFAOYSA-N
MW366.45 g/mol
LogP6.38
Rot. Bonds7

About 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene

1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene (PubChem CID 19767204) has the molecular formula C24H24F2O and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene
PubChem CID19767204
Molecular FormulaC24H24F2O
Molecular Weight366.45 g/mol
Exact Mass366.18
IUPAC Name1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(CCc3ccc(CC)cc3)cc2)c(F)c1F
InChIInChI=1S/C24H24F2O/c1-3-17-5-7-18(8-6-17)9-10-19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25/h5-8,11-16H,3-4,9-10H2,1-2H3
InChIKeyGXGQGRBDAAKDSM-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene (CID 19767204) is 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene is CCOc1ccc(-c2ccc(CCc3ccc(CC)cc3)cc2)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene?
The InChIKey is GXGQGRBDAAKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O/c1-3-17-5-7-18(8-6-17)9-10-19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25/h5-8,11-16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene?
1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene has a molecular weight of 366.45 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 19767204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).