tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate

C19H20O5 — CID 146550205

IUPACtert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
SMILESCC(C)(C)OC(=O)COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C19H20O5/c1-19(2,3)24-17(21)12-23-14-9-10-15(16(20)11-14)18(22)13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3
InChIKeyVGUWOZMZDFJZTH-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate

tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate (PubChem CID 146550205) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
PubChem CID146550205
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Nametert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
SMILESCC(C)(C)OC(=O)COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C19H20O5/c1-19(2,3)24-17(21)12-23-14-9-10-15(16(20)11-14)18(22)13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3
InChIKeyVGUWOZMZDFJZTH-UHFFFAOYSA-N
XLogP3.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[3-hydroxy-4-(4-methylbenzoyl)phenoxy]acetate
CID 166860175
2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
CID 19380030
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
2-(4-benzoyl-3-hydroxyphenoxy)-N'-phenylacetohydrazide
CID 19995116
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
2-(4-benzoyl-3-hydroxyphenoxy)ethyl butanoate
CID 166903614
CID 172864174
CID 172864174
CID 175499515
CID 175499515
(2,4-dihydroxyphenyl)-phenylmethanone;ethyl 2-bromoacetate;methyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate
CID 158285696

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate?
The IUPAC name of tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate (CID 146550205) is tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate.
What is the SMILES notation for tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate?
The canonical SMILES for tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate is CC(C)(C)OC(=O)COc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate?
The InChIKey is VGUWOZMZDFJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-19(2,3)24-17(21)12-23-14-9-10-15(16(20)11-14)18(22)13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3.
What are the key properties of tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate?
tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate has a molecular weight of 328.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-benzoyl-3-hydroxyphenoxy)acetate is sourced from PubChem (CID 146550205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).