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

C17H16F2O2 — CID 67957771

IUPAC2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane
SMILESCCOc1ccc(-c2ccc(C3CCO3)cc2)c(F)c1F
InChIInChI=1S/C17H16F2O2/c1-2-20-15-8-7-13(16(18)17(15)19)11-3-5-12(6-4-11)14-9-10-21-14/h3-8,14H,2,9-10H2,1H3
InChIKeyRTXMNROAGGGRKM-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.49
Rot. Bonds4

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

2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane (PubChem CID 67957771) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane.

Molecular Properties

Compound Name2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane
PubChem CID67957771
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane
SMILESCCOc1ccc(-c2ccc(C3CCO3)cc2)c(F)c1F
InChIInChI=1S/C17H16F2O2/c1-2-20-15-8-7-13(16(18)17(15)19)11-3-5-12(6-4-11)14-9-10-21-14/h3-8,14H,2,9-10H2,1H3
InChIKeyRTXMNROAGGGRKM-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethenylcyclohexyl)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]oxane
CID 58021231
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylphenyl)cyclohex-2-en-1-yl]phenyl]benzene
CID 139334431
5-(4-but-3-enylcyclohexyl)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]oxane
CID 58021175
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran
CID 122480114
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
5-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-prop-1-enyloxane
CID 91109331
5-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-[(E)-prop-1-enyl]oxane
CID 58021282
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
CID 131994381
CID 67612605
CID 67612605
2-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]phenyl]-5-[(E)-pent-3-enyl]oxane
CID 58021328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane?
The IUPAC name of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane (CID 67957771) is 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane.
What is the SMILES notation for 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane?
The canonical SMILES for 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane is CCOc1ccc(-c2ccc(C3CCO3)cc2)c(F)c1F.
What is the InChIKey of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane?
The InChIKey is RTXMNROAGGGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-2-20-15-8-7-13(16(18)17(15)19)11-3-5-12(6-4-11)14-9-10-21-14/h3-8,14H,2,9-10H2,1H3.
What are the key properties of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane?
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane has a molecular weight of 290.31 g/mol, XLogP of 4.49, 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]oxetane is sourced from PubChem (CID 67957771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).