ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)

C12H14O5U — CID 164874748

IUPACethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)
SMILESO=[C-]c1ccc(C(=O)OCCO)cc1.[CH2-]CO.[U+2]
InChIInChI=1S/C10H9O4.C2H5O.U/c11-5-6-14-10(13)9-3-1-8(7-12)2-4-9;1-2-3;/h1-4,11H,5-6H2;3H,1-2H2;/q2*-1;+2
InChIKeySVTDRNFANDTQMZ-UHFFFAOYSA-N
MW476.27 g/mol
LogP0.11
Rot. Bonds4

About ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)

ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+) (PubChem CID 164874748) has the molecular formula C12H14O5U and a molecular weight of 476.27 g/mol. Its IUPAC name is ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+).

Molecular Properties

Compound Nameethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)
PubChem CID164874748
Molecular FormulaC12H14O5U
Molecular Weight476.27 g/mol
Exact Mass476.13
IUPAC Nameethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)
SMILESO=[C-]c1ccc(C(=O)OCCO)cc1.[CH2-]CO.[U+2]
InChIInChI=1S/C10H9O4.C2H5O.U/c11-5-6-14-10(13)9-3-1-8(7-12)2-4-9;1-2-3;/h1-4,11H,5-6H2;3H,1-2H2;/q2*-1;+2
InChIKeySVTDRNFANDTQMZ-UHFFFAOYSA-N
XLogP0.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid
CID 161199390
2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
CID 69170087
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
1-O-(2-hydroxyethyl) 4-O-[2-[hydroxy-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxy]phosphoryl]oxyethyl] benzene-1,4-dicarboxylate
CID 138530108
2-hydroxyethyl 4-(2-phenylphenyl)benzoate
CID 139650323
2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate
CID 126733121
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
2-hydroxyethyl 4-fluoro-3-methylbenzoate
CID 116862866
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
CID 161417180
2-hydroxyethyl 4-butan-2-ylbenzoate
CID 116862879
bis(2-hydroxyethyl) benzene-1,4-dicarboxylate;3-methylbenzene-1,2-diol
CID 66700398
bis(2-aminooxyethyl) benzene-1,4-dicarboxylate
CID 164990085

Frequently Asked Questions

What is the IUPAC name of ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)?
The IUPAC name of ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+) (CID 164874748) is ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+).
What is the SMILES notation for ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)?
The canonical SMILES for ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+) is O=[C-]c1ccc(C(=O)OCCO)cc1.[CH2-]CO.[U+2].
What is the InChIKey of ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)?
The InChIKey is SVTDRNFANDTQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O4.C2H5O.U/c11-5-6-14-10(13)9-3-1-8(7-12)2-4-9;1-2-3;/h1-4,11H,5-6H2;3H,1-2H2;/q2*-1;+2.
What are the key properties of ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)?
ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+) has a molecular weight of 476.27 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+) is sourced from PubChem (CID 164874748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).