[4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)

C20H12O4V2W2-2 — CID 20782798

IUPAC[4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)
SMILESO=C(Oc1ccc(OC(=O)c2cc[c-]cc2)cc1)c1cc[c-]cc1.[V].[V].[W].[W]
InChIInChI=1S/C20H12O4.2V.2W/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16;;;;/h3-14H;;;;/q-2;;;;
InChIKeyMWMALOLPQOYTOG-UHFFFAOYSA-N
MW785.88 g/mol
LogP3.72
Rot. Bonds4

About [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)

[4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium) (PubChem CID 20782798) has the molecular formula C20H12O4V2W2-2 and a molecular weight of 785.88 g/mol. Its IUPAC name is [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium).

Molecular Properties

Compound Name[4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)
PubChem CID20782798
Molecular FormulaC20H12O4V2W2-2
Molecular Weight785.88 g/mol
Exact Mass785.86
IUPAC Name[4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)
SMILESO=C(Oc1ccc(OC(=O)c2cc[c-]cc2)cc1)c1cc[c-]cc1.[V].[V].[W].[W]
InChIInChI=1S/C20H12O4.2V.2W/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16;;;;/h3-14H;;;;/q-2;;;;
InChIKeyMWMALOLPQOYTOG-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500785.88
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
[4-(4-cyanatobenzoyl)oxyphenyl] 4-cyanatobenzoate
CID 23373872
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
heptylbenzene;oxocobalt;phenyl benzoate
CID 88980212
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
3-methanidylperoxy-2-methylprop-1-ene;osmium(2+);[4-[(4-prop-1-en-2-ylphenoxy)methoxy]phenyl] benzoate
CID 20724240

Frequently Asked Questions

What is the IUPAC name of [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)?
The IUPAC name of [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium) (CID 20782798) is [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium).
What is the SMILES notation for [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)?
The canonical SMILES for [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium) is O=C(Oc1ccc(OC(=O)c2cc[c-]cc2)cc1)c1cc[c-]cc1.[V].[V].[W].[W].
What is the InChIKey of [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)?
The InChIKey is MWMALOLPQOYTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O4.2V.2W/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16;;;;/h3-14H;;;;/q-2;;;;.
What are the key properties of [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium)?
[4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium) has a molecular weight of 785.88 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzoyloxy)phenyl] benzoate;tungsten;bis(vanadium) is sourced from PubChem (CID 20782798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).