2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate

C16H23O4- — CID 7343070

IUPAC2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate
SMILESCC(C)(C)c1cc(OCC(=O)[O-])c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O4/c1-15(2,3)10-7-11(16(4,5)6)14(19)12(8-10)20-9-13(17)18/h7-8,19H,9H2,1-6H3,(H,17,18)/p-1
InChIKeyNJVPJGYZLYEVES-UHFFFAOYSA-M
MW279.36 g/mol
LogP2.12
Rot. Bonds3

About 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate

2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate (PubChem CID 7343070) has the molecular formula C16H23O4- and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate
PubChem CID7343070
Molecular FormulaC16H23O4-
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate
SMILESCC(C)(C)c1cc(OCC(=O)[O-])c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O4/c1-15(2,3)10-7-11(16(4,5)6)14(19)12(8-10)20-9-13(17)18/h7-8,19H,9H2,1-6H3,(H,17,18)/p-1
InChIKeyNJVPJGYZLYEVES-UHFFFAOYSA-M
XLogP2.12
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(3,5-ditert-butyl-2-hydroxyphenyl) hydrogen phosphate
CID 175526623
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698
2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
CID 102348051
(3,5-ditert-butyl-2-hydroxyphenyl) decanoate
CID 174769108
(3,5-ditert-butyl-2-hydroxyphenyl) dodecanoate
CID 174769524
2-[4-[2-[4-(carboxylatomethoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]acetate
CID 4228987
2-[2-(4,6-ditert-butyl-1H-benzimidazol-3-ium-2-yl)phenoxy]acetate
CID 139207911
disodium;2-[carboxylatomethyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]acetate
CID 102146107
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]but-2-enoic acid
CID 174910765
lithium 3,5-ditert-butyl-4-hydroxybenzoate
CID 139788661
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate?
The IUPAC name of 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate (CID 7343070) is 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate.
What is the SMILES notation for 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate?
The canonical SMILES for 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate is CC(C)(C)c1cc(OCC(=O)[O-])c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate?
The InChIKey is NJVPJGYZLYEVES-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24O4/c1-15(2,3)10-7-11(16(4,5)6)14(19)12(8-10)20-9-13(17)18/h7-8,19H,9H2,1-6H3,(H,17,18)/p-1.
What are the key properties of 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate?
2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate has a molecular weight of 279.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate is sourced from PubChem (CID 7343070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).