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

C22H26F2O — CID 58997815

IUPAC1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H26F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h9-16H,3-8H2,1-2H3
InChIKeyDEFRYXBKOCRIJE-UHFFFAOYSA-N
MW344.45 g/mol
LogP6.71
Rot. Bonds5

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

1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene (PubChem CID 58997815) has the molecular formula C22H26F2O and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene
PubChem CID58997815
Molecular FormulaC22H26F2O
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)c(F)c1F
InChIInChI=1S/C22H26F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h9-16H,3-8H2,1-2H3
InChIKeyDEFRYXBKOCRIJE-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.71
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-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene (CID 58997815) is 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene is CCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene?
The InChIKey is DEFRYXBKOCRIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h9-16H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene?
1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene has a molecular weight of 344.45 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 58997815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).