2,6-dimethylphenolate phenoxide

C14H14O2-2 — CID 161319197

IUPAC2,6-dimethylphenolate phenoxide
SMILESCc1cccc(C)c1[O-].[O-]c1ccccc1
InChIInChI=1S/C8H10O.C6H6O/c1-6-4-3-5-7(2)8(6)9;7-6-4-2-1-3-5-6/h3-5,9H,1-2H3;1-5,7H/p-2
InChIKeyVJXIZXJHJXDYGJ-UHFFFAOYSA-L
MW214.26 g/mol
LogP2.14
Rot. Bonds

About 2,6-dimethylphenolate phenoxide

2,6-dimethylphenolate phenoxide (PubChem CID 161319197) has the molecular formula C14H14O2-2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,6-dimethylphenolate phenoxide.

Molecular Properties

Compound Name2,6-dimethylphenolate phenoxide
PubChem CID161319197
Molecular FormulaC14H14O2-2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2,6-dimethylphenolate phenoxide
SMILESCc1cccc(C)c1[O-].[O-]c1ccccc1
InChIInChI=1S/C8H10O.C6H6O/c1-6-4-3-5-7(2)8(6)9;7-6-4-2-1-3-5-6/h3-5,9H,1-2H3;1-5,7H/p-2
InChIKeyVJXIZXJHJXDYGJ-UHFFFAOYSA-L
XLogP2.14
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 2,6-dimethylphenolate
CID 23686125
hafnium diphenoxide
CID 175882420
tetrasodium;tetraphenoxide
CID 159915376
samarium(3+) triphenoxide
CID 23131979
dipotassium diphenoxide
CID 15819850
dilithium diphenoxide
CID 22167155
disodium diphenoxide
CID 15819849
nickel(2+) diphenoxide
CID 22743825
tantalum(5+);tetrachloride;phenoxide
CID 102588360
titanium(4+);tribromide;phenoxide
CID 174515680
disodium;hydride;phenoxide
CID 173446882
benzene;1,2-xylene
CID 161464493

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylphenolate phenoxide?
The IUPAC name of 2,6-dimethylphenolate phenoxide (CID 161319197) is 2,6-dimethylphenolate phenoxide.
What is the SMILES notation for 2,6-dimethylphenolate phenoxide?
The canonical SMILES for 2,6-dimethylphenolate phenoxide is Cc1cccc(C)c1[O-].[O-]c1ccccc1.
What is the InChIKey of 2,6-dimethylphenolate phenoxide?
The InChIKey is VJXIZXJHJXDYGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O.C6H6O/c1-6-4-3-5-7(2)8(6)9;7-6-4-2-1-3-5-6/h3-5,9H,1-2H3;1-5,7H/p-2.
What are the key properties of 2,6-dimethylphenolate phenoxide?
2,6-dimethylphenolate phenoxide has a molecular weight of 214.26 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylphenolate phenoxide is sourced from PubChem (CID 161319197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).