3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C14H17FN2O4 — CID 5307270

IUPAC3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)COc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O4/c1-14(2)12(19)17(13(20)16-14)7-10(18)8-21-11-5-3-4-9(15)6-11/h3-6,10,18H,7-8H2,1-2H3,(H,16,20)
InChIKeyZQJQUGCJACUWDP-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.90
Rot. Bonds5

About 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 5307270) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID5307270
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)COc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O4/c1-14(2)12(19)17(13(20)16-14)7-10(18)8-21-11-5-3-4-9(15)6-11/h3-6,10,18H,7-8H2,1-2H3,(H,16,20)
InChIKeyZQJQUGCJACUWDP-UHFFFAOYSA-N
XLogP0.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
3-[3-[4-[2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 2884368
3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92853467
3-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 26011422
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
(5R)-5-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-5-methylimidazolidine-2,4-dione
CID 31570678
(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 94180443
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 85456346
3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18097416
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 101178069

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 5307270) is 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)COc2cccc(F)c2)C1=O.
What is the InChIKey of 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZQJQUGCJACUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-14(2)12(19)17(13(20)16-14)7-10(18)8-21-11-5-3-4-9(15)6-11/h3-6,10,18H,7-8H2,1-2H3,(H,16,20).
What are the key properties of 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 296.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 5307270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).