tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate

C14H18O5 — CID 171130082

IUPACtert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
SMILESCOc1ccc(C=O)cc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C14H18O5/c1-14(2,3)19-13(16)9-18-12-7-10(8-15)5-6-11(12)17-4/h5-8H,9H2,1-4H3
InChIKeyATGNOIMBTPIFHU-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.23
Rot. Bonds5

About tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate

tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate (PubChem CID 171130082) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
PubChem CID171130082
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nametert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
SMILESCOc1ccc(C=O)cc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C14H18O5/c1-14(2,3)19-13(16)9-18-12-7-10(8-15)5-6-11(12)17-4/h5-8H,9H2,1-4H3
InChIKeyATGNOIMBTPIFHU-UHFFFAOYSA-N
XLogP2.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
CID 19085805
tert-butyl 2-[2-(1-fluoroethoxy)-5-formylphenoxy]acetate;hydrate
CID 143753517
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
tert-butyl 2-(4-chloro-2-formylphenoxy)acetate
CID 51357407
methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate
CID 87741357
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
4-methoxy-3-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 102974983
(5-formyl-2-methoxyphenyl) 2-chloroacetate
CID 592476

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate?
The IUPAC name of tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate (CID 171130082) is tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate?
The canonical SMILES for tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate is COc1ccc(C=O)cc1OCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate?
The InChIKey is ATGNOIMBTPIFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-14(2,3)19-13(16)9-18-12-7-10(8-15)5-6-11(12)17-4/h5-8H,9H2,1-4H3.
What are the key properties of tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate?
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate has a molecular weight of 266.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 171130082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).