erbium;1-phenylbutane-1,3-dione

C10H10ErO2 — CID 175058632

IUPACerbium;1-phenylbutane-1,3-dione
SMILESCC(=O)CC(=O)c1ccccc1.[Er]
InChIInChI=1S/C10H10O2.Er/c1-8(11)7-10(12)9-5-3-2-4-6-9;/h2-6H,7H2,1H3;
InChIKeyFQXVWBHTTRYXNJ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.85
Rot. Bonds3

About erbium;1-phenylbutane-1,3-dione

erbium;1-phenylbutane-1,3-dione (PubChem CID 175058632) has the molecular formula C10H10ErO2 and a molecular weight of 329.45 g/mol. Its IUPAC name is erbium;1-phenylbutane-1,3-dione.

Molecular Properties

Compound Nameerbium;1-phenylbutane-1,3-dione
PubChem CID175058632
Molecular FormulaC10H10ErO2
Molecular Weight329.45 g/mol
Exact Mass328.00
IUPAC Nameerbium;1-phenylbutane-1,3-dione
SMILESCC(=O)CC(=O)c1ccccc1.[Er]
InChIInChI=1S/C10H10O2.Er/c1-8(11)7-10(12)9-5-3-2-4-6-9;/h2-6H,7H2,1H3;
InChIKeyFQXVWBHTTRYXNJ-UHFFFAOYSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze erbium;1-phenylbutane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
(Z)-3-methyl-1-phenylpent-3-en-1-one
CID 101075943
1-phenyldecane-1,3,6,9-tetrone
CID 132518013
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
dimethyl-(4-oxo-4-phenylbutan-2-ylidene)azanium
CID 134924771
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
3-oxobutanoic acid;1-phenylethanone
CID 67450141
acetyl ethaneperoxoate;1-pentylperoxypentane;1-phenylbutane-1,3-dione
CID 174984609
1-phenylheptane-1,6-dione
CID 11333176
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966

Frequently Asked Questions

What is the IUPAC name of erbium;1-phenylbutane-1,3-dione?
The IUPAC name of erbium;1-phenylbutane-1,3-dione (CID 175058632) is erbium;1-phenylbutane-1,3-dione.
What is the SMILES notation for erbium;1-phenylbutane-1,3-dione?
The canonical SMILES for erbium;1-phenylbutane-1,3-dione is CC(=O)CC(=O)c1ccccc1.[Er].
What is the InChIKey of erbium;1-phenylbutane-1,3-dione?
The InChIKey is FQXVWBHTTRYXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.Er/c1-8(11)7-10(12)9-5-3-2-4-6-9;/h2-6H,7H2,1H3;.
What are the key properties of erbium;1-phenylbutane-1,3-dione?
erbium;1-phenylbutane-1,3-dione has a molecular weight of 329.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for erbium;1-phenylbutane-1,3-dione is sourced from PubChem (CID 175058632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).