tert-butyl 2-(4-butan-2-ylphenoxy)acetate

C16H24O3 — CID 18731020

IUPACtert-butyl 2-(4-butan-2-ylphenoxy)acetate
SMILESCCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H24O3/c1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyNLAVFOHMCAUVQM-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.92
Rot. Bonds5

About tert-butyl 2-(4-butan-2-ylphenoxy)acetate

tert-butyl 2-(4-butan-2-ylphenoxy)acetate (PubChem CID 18731020) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 2-(4-butan-2-ylphenoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-butan-2-ylphenoxy)acetate
PubChem CID18731020
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nametert-butyl 2-(4-butan-2-ylphenoxy)acetate
SMILESCCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H24O3/c1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyNLAVFOHMCAUVQM-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butan-2-ylphenyl)methyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzoate
CID 71073761
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
(2S)-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
CID 58572945
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
CID 19764531
tert-butyl 2-[4-[1,1-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetate
CID 23023013
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
(4-butan-2-ylphenyl)methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzoate
CID 71073645
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
4-butan-2-yl-1-(1-ethoxyethoxy)-2-methoxybenzene;(4-butan-2-yl-2-methoxyphenyl) tert-butyl carbonate;tert-butyl 2-(3-butan-2-ylphenoxy)acetate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 161347640
(4-butan-2-ylphenyl) 2-(4-nitrophenoxy)acetate
CID 5118390
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
CID 21185662

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-butan-2-ylphenoxy)acetate?
The IUPAC name of tert-butyl 2-(4-butan-2-ylphenoxy)acetate (CID 18731020) is tert-butyl 2-(4-butan-2-ylphenoxy)acetate.
What is the SMILES notation for tert-butyl 2-(4-butan-2-ylphenoxy)acetate?
The canonical SMILES for tert-butyl 2-(4-butan-2-ylphenoxy)acetate is CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-(4-butan-2-ylphenoxy)acetate?
The InChIKey is NLAVFOHMCAUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5/h7-10,12H,6,11H2,1-5H3.
What are the key properties of tert-butyl 2-(4-butan-2-ylphenoxy)acetate?
tert-butyl 2-(4-butan-2-ylphenoxy)acetate has a molecular weight of 264.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-butan-2-ylphenoxy)acetate is sourced from PubChem (CID 18731020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).