3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one

C12H14N2O5 — CID 91018538

IUPAC3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1-c1ccc(OC[C@H](O)CO)cc1
InChIInChI=1S/C12H14N2O5/c15-6-9(16)7-19-10-3-1-8(2-4-10)14-11(17)5-13-12(14)18/h1-5,9,15-17H,6-7H2,(H,13,18)/t9-/m1/s1
InChIKeyDKHYQWHFJNICOU-SECBINFHSA-N
MW266.25 g/mol
LogP-0.40
Rot. Bonds5

About 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one

3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 91018538) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one
PubChem CID91018538
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]cc(O)n1-c1ccc(OC[C@H](O)CO)cc1
InChIInChI=1S/C12H14N2O5/c15-6-9(16)7-19-10-3-1-8(2-4-10)14-11(17)5-13-12(14)18/h1-5,9,15-17H,6-7H2,(H,13,18)/t9-/m1/s1
InChIKeyDKHYQWHFJNICOU-SECBINFHSA-N
XLogP-0.40
TPSA107.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol
CID 171439964
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione
CID 90261032
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
CID 139630943
2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
CID 572441
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892
bis[4-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]methanone
CID 86172123
4-[[4-(2,3-dihydroxypropoxy)phenyl]diazenyl]benzonitrile
CID 71356146
3-[4-(4-hydroxy-7-phenyl-1,4-dihydropyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]propane-1,2-diol
CID 138555810
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one (CID 91018538) is 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one is O=c1[nH]cc(O)n1-c1ccc(OC[C@H](O)CO)cc1.
What is the InChIKey of 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is DKHYQWHFJNICOU-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-6-9(16)7-19-10-3-1-8(2-4-10)14-11(17)5-13-12(14)18/h1-5,9,15-17H,6-7H2,(H,13,18)/t9-/m1/s1.
What are the key properties of 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one?
3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 266.25 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 91018538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).