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

C14H17ClN2O4 — CID 2908047

IUPAC3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)COc2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H17ClN2O4/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)
InChIKeyZNLYQRVTWBAQPD-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.41
Rot. Bonds5

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

3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2908047) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2908047
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)COc2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H17ClN2O4/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)
InChIKeyZNLYQRVTWBAQPD-UHFFFAOYSA-N
XLogP1.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2908047) is 3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)COc2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZNLYQRVTWBAQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/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-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 312.75 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2908047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).