ethene;oxocobalt;propyl 2,4-dihydroxybenzoate

C12H14CoO5-2 — CID 89141375

IUPACethene;oxocobalt;propyl 2,4-dihydroxybenzoate
SMILESO=[Co].[CH2-]CCOC(=O)c1ccc(O)cc1O.[H][C-]=C
InChIInChI=1S/C10H11O4.C2H3.Co.O/c1-2-5-14-10(13)8-4-3-7(11)6-9(8)12;1-2;;/h3-4,6,11-12H,1-2,5H2;1H,2H2;;/q2*-1;;
InChIKeyWVZXILXHCMDCQF-UHFFFAOYSA-N
MW297.17 g/mol
LogP1.96
Rot. Bonds3

About ethene;oxocobalt;propyl 2,4-dihydroxybenzoate

ethene;oxocobalt;propyl 2,4-dihydroxybenzoate (PubChem CID 89141375) has the molecular formula C12H14CoO5-2 and a molecular weight of 297.17 g/mol. Its IUPAC name is ethene;oxocobalt;propyl 2,4-dihydroxybenzoate.

Molecular Properties

Compound Nameethene;oxocobalt;propyl 2,4-dihydroxybenzoate
PubChem CID89141375
Molecular FormulaC12H14CoO5-2
Molecular Weight297.17 g/mol
Exact Mass297.02
IUPAC Nameethene;oxocobalt;propyl 2,4-dihydroxybenzoate
SMILESO=[Co].[CH2-]CCOC(=O)c1ccc(O)cc1O.[H][C-]=C
InChIInChI=1S/C10H11O4.C2H3.Co.O/c1-2-5-14-10(13)8-4-3-7(11)6-9(8)12;1-2;;/h3-4,6,11-12H,1-2,5H2;1H,2H2;;/q2*-1;;
InChIKeyWVZXILXHCMDCQF-UHFFFAOYSA-N
XLogP1.96
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 51.96
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

2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
CID 139593761
but-3-ynyl 2,4-dihydroxybenzoate
CID 18355636
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,4-dihydroxybenzoate
CID 5123968
[2-oxo-2-(prop-2-enylamino)ethyl] 2,4-dihydroxybenzoate
CID 2645392
oxalic acid;3-piperidin-1-ylpropyl 2,4-dihydroxybenzoate
CID 18530446
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 18077413
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dihydroxybenzoate
CID 7870759

Frequently Asked Questions

What is the IUPAC name of ethene;oxocobalt;propyl 2,4-dihydroxybenzoate?
The IUPAC name of ethene;oxocobalt;propyl 2,4-dihydroxybenzoate (CID 89141375) is ethene;oxocobalt;propyl 2,4-dihydroxybenzoate.
What is the SMILES notation for ethene;oxocobalt;propyl 2,4-dihydroxybenzoate?
The canonical SMILES for ethene;oxocobalt;propyl 2,4-dihydroxybenzoate is O=[Co].[CH2-]CCOC(=O)c1ccc(O)cc1O.[H][C-]=C.
What is the InChIKey of ethene;oxocobalt;propyl 2,4-dihydroxybenzoate?
The InChIKey is WVZXILXHCMDCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O4.C2H3.Co.O/c1-2-5-14-10(13)8-4-3-7(11)6-9(8)12;1-2;;/h3-4,6,11-12H,1-2,5H2;1H,2H2;;/q2*-1;;.
What are the key properties of ethene;oxocobalt;propyl 2,4-dihydroxybenzoate?
ethene;oxocobalt;propyl 2,4-dihydroxybenzoate has a molecular weight of 297.17 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;oxocobalt;propyl 2,4-dihydroxybenzoate is sourced from PubChem (CID 89141375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).