2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate

C18H23O3- — CID 9158958

IUPAC2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate
SMILESCC(C)(C)c1cc(C(C)(C)C)c2occ(CC(=O)[O-])c2c1
InChIInChI=1S/C18H24O3/c1-17(2,3)12-8-13-11(7-15(19)20)10-21-16(13)14(9-12)18(4,5)6/h8-10H,7H2,1-6H3,(H,19,20)/p-1
InChIKeyMTXHPMDGLDALJT-UHFFFAOYSA-M
MW287.38 g/mol
LogP3.32
Rot. Bonds2

About 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate

2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate (PubChem CID 9158958) has the molecular formula C18H23O3- and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate
PubChem CID9158958
Molecular FormulaC18H23O3-
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate
SMILESCC(C)(C)c1cc(C(C)(C)C)c2occ(CC(=O)[O-])c2c1
InChIInChI=1S/C18H24O3/c1-17(2,3)12-8-13-11(7-15(19)20)10-21-16(13)14(9-12)18(4,5)6/h8-10H,7H2,1-6H3,(H,19,20)/p-1
InChIKeyMTXHPMDGLDALJT-UHFFFAOYSA-M
XLogP3.32
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6,8-ditert-butylchromen-4-one
CID 102172550
6,8-ditert-butyl-4-oxochromene-2-carboxylate
CID 6919022
disodium;2-[carboxylatomethyl-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]acetate
CID 102146107
calcium;3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoic acid;carbonate
CID 174722916
5,7-ditert-butyl-3-(2-ethoxy-4-ethyl-3,5-dimethylphenyl)-1-benzofuran
CID 150921014
N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81041063
2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate
CID 7343070
trisodium;2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol;phosphate
CID 159744208
methyl 2,4,6-tritert-butylbenzoate
CID 5059268
ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159197768
3,5-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxybenzoyl)oxybenzoic acid
CID 175546183
methyl 5-(3,5-ditert-butyl-2-hydroxyphenyl)-5-methylhexanoate
CID 19865079

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate?
The IUPAC name of 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate (CID 9158958) is 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate is CC(C)(C)c1cc(C(C)(C)C)c2occ(CC(=O)[O-])c2c1.
What is the InChIKey of 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate?
The InChIKey is MTXHPMDGLDALJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H24O3/c1-17(2,3)12-8-13-11(7-15(19)20)10-21-16(13)14(9-12)18(4,5)6/h8-10H,7H2,1-6H3,(H,19,20)/p-1.
What are the key properties of 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate?
2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate has a molecular weight of 287.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 9158958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).