tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate

C17H24O5 — CID 137357211

IUPACtert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
SMILESCC(C)(C)OC(=O)Cc1ccc(O)c(C(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H24O5/c1-16(2,3)21-14(19)10-11-7-8-13(18)12(9-11)15(20)22-17(4,5)6/h7-9,18H,10H2,1-6H3
InChIKeyFDUSSJDTYYSWQI-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.23
Rot. Bonds3

About tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate

tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate (PubChem CID 137357211) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
PubChem CID137357211
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Nametert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
SMILESCC(C)(C)OC(=O)Cc1ccc(O)c(C(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H24O5/c1-16(2,3)21-14(19)10-11-7-8-13(18)12(9-11)15(20)22-17(4,5)6/h7-9,18H,10H2,1-6H3
InChIKeyFDUSSJDTYYSWQI-UHFFFAOYSA-N
XLogP3.23
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(4-hydroxy-3-nitrophenyl)acetate
CID 19751054
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 121000540
CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
tert-butyl 5-[(3-amino-3-oxopropanoyl)amino]-2-hydroxybenzoate
CID 139021061
tert-butyl 2-(3-bromo-4-formylphenyl)acetate
CID 159968952
2-hydroxy-5-(2-oxopropyl)benzoic acid
CID 24721592
tert-butyl 4-ethyl-2-methylbenzoate
CID 123623163
tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
CID 174729954
tert-butyl 2-(3H-inden-5-yl)acetate
CID 158672073

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate?
The IUPAC name of tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate (CID 137357211) is tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate.
What is the SMILES notation for tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate?
The canonical SMILES for tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate is CC(C)(C)OC(=O)Cc1ccc(O)c(C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate?
The InChIKey is FDUSSJDTYYSWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-16(2,3)21-14(19)10-11-7-8-13(18)12(9-11)15(20)22-17(4,5)6/h7-9,18H,10H2,1-6H3.
What are the key properties of tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate?
tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate has a molecular weight of 308.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate is sourced from PubChem (CID 137357211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).