2-(2-butan-2-ylphenoxy)ethanolate

C12H17O2- — CID 164822470

IUPAC2-(2-butan-2-ylphenoxy)ethanolate
SMILESCCC(C)c1ccccc1OCC[O-]
InChIInChI=1S/C12H17O2/c1-3-10(2)11-6-4-5-7-12(11)14-9-8-13/h4-7,10H,3,8-9H2,1-2H3/q-1
InChIKeyNGDZCRSBOVELND-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-butan-2-ylphenoxy)ethanolate

2-(2-butan-2-ylphenoxy)ethanolate (PubChem CID 164822470) has the molecular formula C12H17O2- and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)ethanolate.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)ethanolate
PubChem CID164822470
Molecular FormulaC12H17O2-
Molecular Weight193.27 g/mol
Exact Mass193.12
IUPAC Name2-(2-butan-2-ylphenoxy)ethanolate
SMILESCCC(C)c1ccccc1OCC[O-]
InChIInChI=1S/C12H17O2/c1-3-10(2)11-6-4-5-7-12(11)14-9-8-13/h4-7,10H,3,8-9H2,1-2H3/q-1
InChIKeyNGDZCRSBOVELND-UHFFFAOYSA-N
XLogP1.94
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
N-[2-(2-butan-2-ylphenoxy)ethyl]prop-2-en-1-amine
CID 62572475
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
2-amino-4-(2-butan-2-ylphenoxy)-2-methylbutan-1-ol
CID 64804981
1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]-4-ethylpiperazine-1,4-diium
CID 2216199
5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
CID 63498593
tris(2-butan-2-ylphenyl) phosphite
CID 18519322

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)ethanolate?
The IUPAC name of 2-(2-butan-2-ylphenoxy)ethanolate (CID 164822470) is 2-(2-butan-2-ylphenoxy)ethanolate.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)ethanolate?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)ethanolate is CCC(C)c1ccccc1OCC[O-].
What is the InChIKey of 2-(2-butan-2-ylphenoxy)ethanolate?
The InChIKey is NGDZCRSBOVELND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2/c1-3-10(2)11-6-4-5-7-12(11)14-9-8-13/h4-7,10H,3,8-9H2,1-2H3/q-1.
What are the key properties of 2-(2-butan-2-ylphenoxy)ethanolate?
2-(2-butan-2-ylphenoxy)ethanolate has a molecular weight of 193.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)ethanolate is sourced from PubChem (CID 164822470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).