2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene

C18H21FO — CID 176946353

IUPAC2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene
SMILESCCc1cc(Oc2ccc(F)c(C)c2)ccc1C(C)C
InChIInChI=1S/C18H21FO/c1-5-14-11-16(6-8-17(14)12(2)3)20-15-7-9-18(19)13(4)10-15/h6-12H,5H2,1-4H3
InChIKeyROIYHWYHYXDTLI-UHFFFAOYSA-N
MW272.36 g/mol
LogP5.61
Rot. Bonds4

About 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene

2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene (PubChem CID 176946353) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene
PubChem CID176946353
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene
SMILESCCc1cc(Oc2ccc(F)c(C)c2)ccc1C(C)C
InChIInChI=1S/C18H21FO/c1-5-14-11-16(6-8-17(14)12(2)3)20-15-7-9-18(19)13(4)10-15/h6-12H,5H2,1-4H3
InChIKeyROIYHWYHYXDTLI-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.36
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene?
The IUPAC name of 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene (CID 176946353) is 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene.
What is the SMILES notation for 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene?
The canonical SMILES for 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene is CCc1cc(Oc2ccc(F)c(C)c2)ccc1C(C)C.
What is the InChIKey of 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene?
The InChIKey is ROIYHWYHYXDTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-5-14-11-16(6-8-17(14)12(2)3)20-15-7-9-18(19)13(4)10-15/h6-12H,5H2,1-4H3.
What are the key properties of 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene?
2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene has a molecular weight of 272.36 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene is sourced from PubChem (CID 176946353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).