3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione

C12H14N2O4 — CID 114007866

IUPAC3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)CNC2=O)cc1CO
InChIInChI=1S/C12H14N2O4/c1-2-18-10-4-3-9(5-8(10)7-15)14-11(16)6-13-12(14)17/h3-5,15H,2,6-7H2,1H3,(H,13,17)
InChIKeyAANKRSMRDSAZEP-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.63
Rot. Bonds4

About 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione

3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 114007866) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione
PubChem CID114007866
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)CNC2=O)cc1CO
InChIInChI=1S/C12H14N2O4/c1-2-18-10-4-3-9(5-8(10)7-15)14-11(16)6-13-12(14)17/h3-5,15H,2,6-7H2,1H3,(H,13,17)
InChIKeyAANKRSMRDSAZEP-UHFFFAOYSA-N
XLogP0.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.63
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-[4-ethoxy-3-(hydroxymethyl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690097
3-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 47062156
[5-(3,3-dimethylazetidin-1-yl)-2-ethoxyphenyl]methanol
CID 104549171
[5-(3,3-diethylazetidin-1-yl)-2-ethoxyphenyl]methanol
CID 104549183
[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol
CID 104549192
1-[3-(aminomethyl)-4-ethoxyphenyl]-4,4-dimethylpiperidine-2,6-dione
CID 63763210
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione (CID 114007866) is 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione is CCOc1ccc(N2C(=O)CNC2=O)cc1CO.
What is the InChIKey of 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is AANKRSMRDSAZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-18-10-4-3-9(5-8(10)7-15)14-11(16)6-13-12(14)17/h3-5,15H,2,6-7H2,1H3,(H,13,17).
What are the key properties of 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione?
3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 114007866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).