1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene

C17H18F2O — CID 68642346

IUPAC1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(OCC)c(F)c2F)cc1
InChIInChI=1S/C17H18F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h6-11H,3-5H2,1-2H3
InChIKeyRYPOSVPGRBGCKW-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.98
Rot. Bonds5

About 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene

1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene (PubChem CID 68642346) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene
PubChem CID68642346
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(OCC)c(F)c2F)cc1
InChIInChI=1S/C17H18F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h6-11H,3-5H2,1-2H3
InChIKeyRYPOSVPGRBGCKW-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene (CID 68642346) is 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(OCC)c(F)c2F)cc1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene?
The InChIKey is RYPOSVPGRBGCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(20-4-2)17(19)16(14)18/h6-11H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene?
1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene has a molecular weight of 276.33 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene is sourced from PubChem (CID 68642346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).