[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate

C12H14N2O4 — CID 171252600

IUPAC[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
SMILESCOc1cc([C@@H]2CNC(=O)N2)ccc1OC(C)=O
InChIInChI=1S/C12H14N2O4/c1-7(15)18-10-4-3-8(5-11(10)17-2)9-6-13-12(16)14-9/h3-5,9H,6H2,1-2H3,(H2,13,14,16)/t9-/m0/s1
InChIKeyWCMQBYVPKOXBNN-VIFPVBQESA-N
MW250.25 g/mol
LogP0.97
Rot. Bonds3

About [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate

[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate (PubChem CID 171252600) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
PubChem CID171252600
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
SMILESCOc1cc([C@@H]2CNC(=O)N2)ccc1OC(C)=O
InChIInChI=1S/C12H14N2O4/c1-7(15)18-10-4-3-8(5-11(10)17-2)9-6-13-12(16)14-9/h3-5,9H,6H2,1-2H3,(H2,13,14,16)/t9-/m0/s1
InChIKeyWCMQBYVPKOXBNN-VIFPVBQESA-N
XLogP0.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
CID 171197397
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171194561
[2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)phenyl] acetate
CID 154372128
(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
CID 171252695
[4-[(1R,3aR,4S,6aS)-4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 9498525
[4-[4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 5064558
(4S)-4-(3-ethoxy-4-hydroxyphenyl)imidazolidin-2-one
CID 131349347
(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
CID 97015434
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
CID 131302642
(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
CID 171252740

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate (CID 171252600) is [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate is COc1cc([C@@H]2CNC(=O)N2)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate?
The InChIKey is WCMQBYVPKOXBNN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(15)18-10-4-3-8(5-11(10)17-2)9-6-13-12(16)14-9/h3-5,9H,6H2,1-2H3,(H2,13,14,16)/t9-/m0/s1.
What are the key properties of [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate?
[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate has a molecular weight of 250.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate is sourced from PubChem (CID 171252600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).