cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide

C20H16CoO3P- — CID 145489676

IUPACcobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCOc1cc(P2(=O)Oc3ccccc3-c3ccccc32)[c-]cc1C.[Co]
InChIInChI=1S/C20H16O3P.Co/c1-14-11-12-15(13-19(14)22-2)24(21)20-10-6-4-8-17(20)16-7-3-5-9-18(16)23-24;/h3-11,13H,1-2H3;/q-1;
InChIKeyHEJMZDILPJIGFY-UHFFFAOYSA-N
MW394.25 g/mol
LogP4.09
Rot. Bonds2

About cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide

cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 145489676) has the molecular formula C20H16CoO3P- and a molecular weight of 394.25 g/mol. Its IUPAC name is cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Namecobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID145489676
Molecular FormulaC20H16CoO3P-
Molecular Weight394.25 g/mol
Exact Mass394.02
IUPAC Namecobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCOc1cc(P2(=O)Oc3ccccc3-c3ccccc32)[c-]cc1C.[Co]
InChIInChI=1S/C20H16O3P.Co/c1-14-11-12-15(13-19(14)22-2)24(21)20-10-6-4-8-17(20)16-7-3-5-9-18(16)23-24;/h3-11,13H,1-2H3;/q-1;
InChIKeyHEJMZDILPJIGFY-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(isopropylphenyl) phenyl phosphate
CID 34149
Isopropylphenyl diphenyl phosphate
CID 34148
Butylated triphenyl phosphate
CID 5489265
6H-Dibenz[c,e][1,2]oxaphosphorin-6-propanoic acid, butyl ester, 6-oxide
CID 102209257
4H-1,3,2-Benzodioxaphosphorin, 2-phenyl-, 2-oxide
CID 165201
6H-Dibenz(c,e)(1,2)oxaphosphorin, 6-methoxy-, 6-sulfide
CID 3042553
6-(4-Methoxyphenyl)benzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 137635808
Bis(2-propan-2-ylphenyl) hydrogen phosphate
CID 11088938
6-Phenoxybenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 85843215
10-Hydroxy-9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide
CID 11402004
Ammonium 6H-dibenzo[c,e][1,2]oxaphosphinin-6-olate 6-oxide
CID 164511629
2-(Octan-2-yl)phenyl diphenyl phosphate
CID 73555772

Frequently Asked Questions

What is the IUPAC name of cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 145489676) is cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide is COc1cc(P2(=O)Oc3ccccc3-c3ccccc32)[c-]cc1C.[Co].
What is the InChIKey of cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is HEJMZDILPJIGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3P.Co/c1-14-11-12-15(13-19(14)22-2)24(21)20-10-6-4-8-17(20)16-7-3-5-9-18(16)23-24;/h3-11,13H,1-2H3;/q-1;.
What are the key properties of cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 394.25 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;6-(3-methoxy-4-methylbenzene-6-id-1-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 145489676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).