tert-butyl 2-hydroxybenzoate;cobalt

C11H14CoO3 — CID 70348779

IUPACtert-butyl 2-hydroxybenzoate;cobalt
SMILESCC(C)(C)OC(=O)c1ccccc1O.[Co]
InChIInChI=1S/C11H14O3.Co/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;/h4-7,12H,1-3H3;
InChIKeyUFCFPZYYZWIPDA-UHFFFAOYSA-N
MW253.16 g/mol
LogP2.35
Rot. Bonds1

About tert-butyl 2-hydroxybenzoate;cobalt

tert-butyl 2-hydroxybenzoate;cobalt (PubChem CID 70348779) has the molecular formula C11H14CoO3 and a molecular weight of 253.16 g/mol. Its IUPAC name is tert-butyl 2-hydroxybenzoate;cobalt.

Molecular Properties

Compound Nametert-butyl 2-hydroxybenzoate;cobalt
PubChem CID70348779
Molecular FormulaC11H14CoO3
Molecular Weight253.16 g/mol
Exact Mass253.03
IUPAC Nametert-butyl 2-hydroxybenzoate;cobalt
SMILESCC(C)(C)OC(=O)c1ccccc1O.[Co]
InChIInChI=1S/C11H14O3.Co/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;/h4-7,12H,1-3H3;
InChIKeyUFCFPZYYZWIPDA-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 71111006
CID 71111006
2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate
CID 154331756
3-O-tert-butyl 1-O-methyl 2-hydroxybenzene-1,3-dicarboxylate
CID 174913311
tert-butyl 2-fluorosulfanylbenzoate
CID 175320456
tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
CID 174729954
tert-butyl 2-(2-hydroxyethyl)benzoate
CID 139709867
tert-butyl cyclohepta[f]indene-5-carboxylate
CID 154457537
tert-butyl 2-nitrobenzoate;ethane
CID 142865512
tert-butyl 2-(2-phenylethynyl)benzoate
CID 11334935
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]prop-2-enoic acid
CID 169461032
tert-butyl 2,3-dichloro-4-hydroxybenzoate
CID 69417819
tert-butyl 5-acetylnaphthalene-1-carboxylate
CID 155204418

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxybenzoate;cobalt?
The IUPAC name of tert-butyl 2-hydroxybenzoate;cobalt (CID 70348779) is tert-butyl 2-hydroxybenzoate;cobalt.
What is the SMILES notation for tert-butyl 2-hydroxybenzoate;cobalt?
The canonical SMILES for tert-butyl 2-hydroxybenzoate;cobalt is CC(C)(C)OC(=O)c1ccccc1O.[Co].
What is the InChIKey of tert-butyl 2-hydroxybenzoate;cobalt?
The InChIKey is UFCFPZYYZWIPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.Co/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;/h4-7,12H,1-3H3;.
What are the key properties of tert-butyl 2-hydroxybenzoate;cobalt?
tert-butyl 2-hydroxybenzoate;cobalt has a molecular weight of 253.16 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxybenzoate;cobalt is sourced from PubChem (CID 70348779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).