europium;tris(2-phenylbutanedioic acid)

C30H30Eu2O12 — CID 156846982

IUPACeuropium;tris(2-phenylbutanedioic acid)
SMILESO=C(O)CC(C(=O)O)c1ccccc1.O=C(O)CC(C(=O)O)c1ccccc1.O=C(O)CC(C(=O)O)c1ccccc1.[Eu].[Eu]
InChIInChI=1S/3C10H10O4.2Eu/c3*11-9(12)6-8(10(13)14)7-4-2-1-3-5-7;;/h3*1-5,8H,6H2,(H,11,12)(H,13,14);;
InChIKeyZDYWBASUXPBIRZ-UHFFFAOYSA-N
MW886.49 g/mol
LogP3.99
Rot. Bonds12

About europium;tris(2-phenylbutanedioic acid)

europium;tris(2-phenylbutanedioic acid) (PubChem CID 156846982) has the molecular formula C30H30Eu2O12 and a molecular weight of 886.49 g/mol. Its IUPAC name is europium;tris(2-phenylbutanedioic acid).

Molecular Properties

Compound Nameeuropium;tris(2-phenylbutanedioic acid)
PubChem CID156846982
Molecular FormulaC30H30Eu2O12
Molecular Weight886.49 g/mol
Exact Mass888.02
IUPAC Nameeuropium;tris(2-phenylbutanedioic acid)
SMILESO=C(O)CC(C(=O)O)c1ccccc1.O=C(O)CC(C(=O)O)c1ccccc1.O=C(O)CC(C(=O)O)c1ccccc1.[Eu].[Eu]
InChIInChI=1S/3C10H10O4.2Eu/c3*11-9(12)6-8(10(13)14)7-4-2-1-3-5-7;;/h3*1-5,8H,6H2,(H,11,12)(H,13,14);;
InChIKeyZDYWBASUXPBIRZ-UHFFFAOYSA-N
XLogP3.99
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.49
LogP ≤ 53.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylbutanedioic acid
CID 161009404
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
4-oxo-3-phenyl-5-sulfanylpentanoic acid
CID 57219313
4-oxo-2-phenylhexanoic acid
CID 13284198
[4-(1,2-dicarboxyethyl)phenyl]-oxoazanium hydroxide
CID 160665697
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730
4-oxo-4-phenoxy-2-phenylbutanoic acid
CID 70447338
2-[4-[2-[4-(1,2-dicarboxyethyl)phenoxy]ethoxy]phenyl]butanedioic acid
CID 5159637
4-methyl-3-phenylpentanoic acid
CID 3249521
(2S)-2,3-diphenylpropanoic acid
CID 737125
(2S,3S)-2-amino-3-phenylpentanedioic acid
CID 907743

Frequently Asked Questions

What is the IUPAC name of europium;tris(2-phenylbutanedioic acid)?
The IUPAC name of europium;tris(2-phenylbutanedioic acid) (CID 156846982) is europium;tris(2-phenylbutanedioic acid).
What is the SMILES notation for europium;tris(2-phenylbutanedioic acid)?
The canonical SMILES for europium;tris(2-phenylbutanedioic acid) is O=C(O)CC(C(=O)O)c1ccccc1.O=C(O)CC(C(=O)O)c1ccccc1.O=C(O)CC(C(=O)O)c1ccccc1.[Eu].[Eu].
What is the InChIKey of europium;tris(2-phenylbutanedioic acid)?
The InChIKey is ZDYWBASUXPBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H10O4.2Eu/c3*11-9(12)6-8(10(13)14)7-4-2-1-3-5-7;;/h3*1-5,8H,6H2,(H,11,12)(H,13,14);;.
What are the key properties of europium;tris(2-phenylbutanedioic acid)?
europium;tris(2-phenylbutanedioic acid) has a molecular weight of 886.49 g/mol, XLogP of 3.99, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium;tris(2-phenylbutanedioic acid) is sourced from PubChem (CID 156846982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).