[4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)

C35H24O8U — CID 163412075

IUPAC[4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)
SMILESO=C(Oc1ccc(/C=C/c2c[c-]cc(OC(=O)c3ccccc3O)c2)cc1)c1ccccc1O.O=[C-]c1ccccc1O.[U+2]
InChIInChI=1S/C28H19O6.C7H5O2.U/c29-25-10-3-1-8-23(25)27(31)33-21-16-14-19(15-17-21)12-13-20-6-5-7-22(18-20)34-28(32)24-9-2-4-11-26(24)30;8-5-6-3-1-2-4-7(6)9;/h1-4,6-18,29-30H;1-4,9H;/q2*-1;+2/b13-12+;;
InChIKeyBIQMAFHNOIRMOQ-HPAIREQNSA-N
MW810.60 g/mol
LogP6.36
Rot. Bonds7

About [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)

[4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+) (PubChem CID 163412075) has the molecular formula C35H24O8U and a molecular weight of 810.60 g/mol. Its IUPAC name is [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+).

Molecular Properties

Compound Name[4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)
PubChem CID163412075
Molecular FormulaC35H24O8U
Molecular Weight810.60 g/mol
Exact Mass810.20
IUPAC Name[4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)
SMILESO=C(Oc1ccc(/C=C/c2c[c-]cc(OC(=O)c3ccccc3O)c2)cc1)c1ccccc1O.O=[C-]c1ccccc1O.[U+2]
InChIInChI=1S/C28H19O6.C7H5O2.U/c29-25-10-3-1-8-23(25)27(31)33-21-16-14-19(15-17-21)12-13-20-6-5-7-22(18-20)34-28(32)24-9-2-4-11-26(24)30;8-5-6-3-1-2-4-7(6)9;/h1-4,6-18,29-30H;1-4,9H;/q2*-1;+2/b13-12+;;
InChIKeyBIQMAFHNOIRMOQ-HPAIREQNSA-N
XLogP6.36
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.60
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)?
The IUPAC name of [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+) (CID 163412075) is [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+).
What is the SMILES notation for [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)?
The canonical SMILES for [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+) is O=C(Oc1ccc(/C=C/c2c[c-]cc(OC(=O)c3ccccc3O)c2)cc1)c1ccccc1O.O=[C-]c1ccccc1O.[U+2].
What is the InChIKey of [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)?
The InChIKey is BIQMAFHNOIRMOQ-HPAIREQNSA-N. The full InChI is InChI=1S/C28H19O6.C7H5O2.U/c29-25-10-3-1-8-23(25)27(31)33-21-16-14-19(15-17-21)12-13-20-6-5-7-22(18-20)34-28(32)24-9-2-4-11-26(24)30;8-5-6-3-1-2-4-7(6)9;/h1-4,6-18,29-30H;1-4,9H;/q2*-1;+2/b13-12+;;.
What are the key properties of [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+)?
[4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+) has a molecular weight of 810.60 g/mol, XLogP of 6.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[3-(2-hydroxybenzoyl)oxybenzene-5-id-1-yl]ethenyl]phenyl] 2-hydroxybenzoate;(2-hydroxyphenyl)methanone;uranium(2+) is sourced from PubChem (CID 163412075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).