europium;tris(2-methoxy-3-phenylprop-2-enoic acid)

C30H30EuO9 — CID 169448208

IUPACeuropium;tris(2-methoxy-3-phenylprop-2-enoic acid)
SMILESCOC(=Cc1ccccc1)C(=O)O.COC(=Cc1ccccc1)C(=O)O.COC(=Cc1ccccc1)C(=O)O.[Eu]
InChIInChI=1S/3C10H10O3.Eu/c3*1-13-9(10(11)12)7-8-5-3-2-4-6-8;/h3*2-7H,1H3,(H,11,12);
InChIKeyUDQMNELTAOFUDS-UHFFFAOYSA-N
MW686.53 g/mol
LogP5.28
Rot. Bonds9

About europium;tris(2-methoxy-3-phenylprop-2-enoic acid)

europium;tris(2-methoxy-3-phenylprop-2-enoic acid) (PubChem CID 169448208) has the molecular formula C30H30EuO9 and a molecular weight of 686.53 g/mol. Its IUPAC name is europium;tris(2-methoxy-3-phenylprop-2-enoic acid).

Molecular Properties

Compound Nameeuropium;tris(2-methoxy-3-phenylprop-2-enoic acid)
PubChem CID169448208
Molecular FormulaC30H30EuO9
Molecular Weight686.53 g/mol
Exact Mass687.11
IUPAC Nameeuropium;tris(2-methoxy-3-phenylprop-2-enoic acid)
SMILESCOC(=Cc1ccccc1)C(=O)O.COC(=Cc1ccccc1)C(=O)O.COC(=Cc1ccccc1)C(=O)O.[Eu]
InChIInChI=1S/3C10H10O3.Eu/c3*1-13-9(10(11)12)7-8-5-3-2-4-6-8;/h3*2-7H,1H3,(H,11,12);
InChIKeyUDQMNELTAOFUDS-UHFFFAOYSA-N
XLogP5.28
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.53
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
CID 87864699
3-(3-bromophenyl)-2-methoxyprop-2-enoic acid
CID 67763636
2-methoxy-3-phenylprop-2-enoic acid;octyl 2-methoxy-3-phenylprop-2-enoate
CID 162017685
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562
methanamine;2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177580
2-methoxy-3-(2-methylphenyl)prop-2-enoic acid
CID 130704139
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
2-(3,5-dimethoxyphenoxy)-3-phenylprop-2-enoic acid
CID 139651308

Frequently Asked Questions

What is the IUPAC name of europium;tris(2-methoxy-3-phenylprop-2-enoic acid)?
The IUPAC name of europium;tris(2-methoxy-3-phenylprop-2-enoic acid) (CID 169448208) is europium;tris(2-methoxy-3-phenylprop-2-enoic acid).
What is the SMILES notation for europium;tris(2-methoxy-3-phenylprop-2-enoic acid)?
The canonical SMILES for europium;tris(2-methoxy-3-phenylprop-2-enoic acid) is COC(=Cc1ccccc1)C(=O)O.COC(=Cc1ccccc1)C(=O)O.COC(=Cc1ccccc1)C(=O)O.[Eu].
What is the InChIKey of europium;tris(2-methoxy-3-phenylprop-2-enoic acid)?
The InChIKey is UDQMNELTAOFUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H10O3.Eu/c3*1-13-9(10(11)12)7-8-5-3-2-4-6-8;/h3*2-7H,1H3,(H,11,12);.
What are the key properties of europium;tris(2-methoxy-3-phenylprop-2-enoic acid)?
europium;tris(2-methoxy-3-phenylprop-2-enoic acid) has a molecular weight of 686.53 g/mol, XLogP of 5.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium;tris(2-methoxy-3-phenylprop-2-enoic acid) is sourced from PubChem (CID 169448208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).