1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene

C18H21FO — CID 166842431

IUPAC1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
SMILESCC(C)c1ccc(OC(C)(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FO/c1-13(2)14-5-11-17(12-6-14)20-18(3,4)15-7-9-16(19)10-8-15/h5-13H,1-4H3
InChIKeySDJFWDFFRLWUTO-UHFFFAOYSA-N
MW272.36 g/mol
LogP5.26
Rot. Bonds4

About 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene

1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene (PubChem CID 166842431) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
PubChem CID166842431
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
SMILESCC(C)c1ccc(OC(C)(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FO/c1-13(2)14-5-11-17(12-6-14)20-18(3,4)15-7-9-16(19)10-8-15/h5-13H,1-4H3
InChIKeySDJFWDFFRLWUTO-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
2-(4-propan-2-ylphenoxy)propane-2-thiol
CID 137410677
1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene
CID 146530214
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
CID 175005292
1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene
CID 143658209
1-tert-butylperoxy-4-propan-2-ylbenzene
CID 20523322
1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene
CID 170265262
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
trimethyl-[2-(4-propan-2-ylphenyl)propan-2-ylperoxy]silane
CID 91723631
methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene (CID 166842431) is 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene is CC(C)c1ccc(OC(C)(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene?
The InChIKey is SDJFWDFFRLWUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-13(2)14-5-11-17(12-6-14)20-18(3,4)15-7-9-16(19)10-8-15/h5-13H,1-4H3.
What are the key properties of 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene?
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene has a molecular weight of 272.36 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene is sourced from PubChem (CID 166842431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).