2-tert-butyl-4-methoxyphenolate

C11H15O2- — CID 19016621

IUPAC2-tert-butyl-4-methoxyphenolate
SMILESCOc1ccc([O-])c(C(C)(C)C)c1
InChIInChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3/p-1
InChIKeyMRBKEAMVRSLQPH-UHFFFAOYSA-M
MW179.24 g/mol
LogP2.07
Rot. Bonds1

About 2-tert-butyl-4-methoxyphenolate

2-tert-butyl-4-methoxyphenolate (PubChem CID 19016621) has the molecular formula C11H15O2- and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxyphenolate.

Molecular Properties

Compound Name2-tert-butyl-4-methoxyphenolate
PubChem CID19016621
Molecular FormulaC11H15O2-
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-tert-butyl-4-methoxyphenolate
SMILESCOc1ccc([O-])c(C(C)(C)C)c1
InChIInChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3/p-1
InChIKeyMRBKEAMVRSLQPH-UHFFFAOYSA-M
XLogP2.07
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-methoxyphenolate;diethylalumanylium
CID 157212968
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
sodium 2,4-ditert-butylphenolate
CID 23662446
dipotassium;2-tert-butylbenzene-1,4-diolate
CID 139035525
1-(2-tert-butyl-4-methoxyphenyl)pyrazole
CID 160761915
2-tert-butyl-1-isocyano-4-methoxybenzene
CID 168769400
1-tert-butyl-4-methoxy-2-phenoxybenzene
CID 143202933
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
sodium 2-chloro-4-methoxyphenolate
CID 23710122
4-tert-butyl-6-methoxyquinoline
CID 58989607

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxyphenolate?
The IUPAC name of 2-tert-butyl-4-methoxyphenolate (CID 19016621) is 2-tert-butyl-4-methoxyphenolate.
What is the SMILES notation for 2-tert-butyl-4-methoxyphenolate?
The canonical SMILES for 2-tert-butyl-4-methoxyphenolate is COc1ccc([O-])c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methoxyphenolate?
The InChIKey is MRBKEAMVRSLQPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3/p-1.
What are the key properties of 2-tert-butyl-4-methoxyphenolate?
2-tert-butyl-4-methoxyphenolate has a molecular weight of 179.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxyphenolate is sourced from PubChem (CID 19016621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).