(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one

C10H12N2O3 — CID 131302642

IUPAC(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
SMILESCOc1cccc([C@H]2CNC(=O)N2)c1O
InChIInChI=1S/C10H12N2O3/c1-15-8-4-2-3-6(9(8)13)7-5-11-10(14)12-7/h2-4,7,13H,5H2,1H3,(H2,11,12,14)/t7-/m1/s1
InChIKeyFOKCMEOIIHYLLM-SSDOTTSWSA-N
MW208.22 g/mol
LogP0.75
Rot. Bonds2

About (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one

(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one (PubChem CID 131302642) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
PubChem CID131302642
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
SMILESCOc1cccc([C@H]2CNC(=O)N2)c1O
InChIInChI=1S/C10H12N2O3/c1-15-8-4-2-3-6(9(8)13)7-5-11-10(14)12-7/h2-4,7,13H,5H2,1H3,(H2,11,12,14)/t7-/m1/s1
InChIKeyFOKCMEOIIHYLLM-SSDOTTSWSA-N
XLogP0.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(2,3-dimethoxyphenyl)imidazolidin-2-one
CID 171252494
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 131078848
(4R)-4-(2,3,4-trihydroxyphenyl)imidazolidin-2-one
CID 131484948
(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
CID 171252740
[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
CID 171252600
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3245937
4-[(4-hydroxy-3-methoxyphenyl)methyl]imidazolidin-2-one
CID 154097801
(1R,2S,9S,10S,11S)-9-(2-hydroxy-3-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one
CID 1398746
(1R,2S,9R,10R,11S)-9-(2-hydroxy-3-methoxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one
CID 99643088

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one (CID 131302642) is (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one is COc1cccc([C@H]2CNC(=O)N2)c1O.
What is the InChIKey of (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one?
The InChIKey is FOKCMEOIIHYLLM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-8-4-2-3-6(9(8)13)7-5-11-10(14)12-7/h2-4,7,13H,5H2,1H3,(H2,11,12,14)/t7-/m1/s1.
What are the key properties of (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one?
(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 131302642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).