4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene

C12H16F2O — CID 89061467

IUPAC4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene
SMILESCCCc1cc(C)c(F)c(F)c1OCC
InChIInChI=1S/C12H16F2O/c1-4-6-9-7-8(3)10(13)11(14)12(9)15-5-2/h7H,4-6H2,1-3H3
InChIKeyPAYYPSPUNNXQEG-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.62
Rot. Bonds4

About 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene

4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene (PubChem CID 89061467) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene.

Molecular Properties

Compound Name4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene
PubChem CID89061467
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene
SMILESCCCc1cc(C)c(F)c(F)c1OCC
InChIInChI=1S/C12H16F2O/c1-4-6-9-7-8(3)10(13)11(14)12(9)15-5-2/h7H,4-6H2,1-3H3
InChIKeyPAYYPSPUNNXQEG-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethoxy-1,3-dipropylbenzene
CID 14665558
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
CID 131287027
ethane;1-ethoxy-2,3,6-trifluoro-4,5-dimethylbenzene
CID 142106522
2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
CID 12954352
4-ethoxy-2,3,5-trifluorophenol
CID 174599301
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
5-ethoxy-2-fluoro-3-methylphenol
CID 164891522
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
1,2,3,4,5,6-hexafluoro-8-propylnaphthalene
CID 173028209
3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine
CID 83886567
1-(3-bromopropyl)-2-ethoxy-3,5-dimethylbenzene
CID 83942023

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene?
The IUPAC name of 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene (CID 89061467) is 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene.
What is the SMILES notation for 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene?
The canonical SMILES for 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene is CCCc1cc(C)c(F)c(F)c1OCC.
What is the InChIKey of 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene?
The InChIKey is PAYYPSPUNNXQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-4-6-9-7-8(3)10(13)11(14)12(9)15-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene?
4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene has a molecular weight of 214.25 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3-difluoro-1-methyl-5-propylbenzene is sourced from PubChem (CID 89061467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).