ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate

C11H12O5 — CID 13400689

IUPACethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(C=O)c(O)c1
InChIInChI=1S/C11H12O5/c1-2-15-11(14)7-16-9-4-3-8(6-12)10(13)5-9/h3-6,13H,2,7H2,1H3
InChIKeyRKVKZCYDVITYGW-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.15
Rot. Bonds5

About ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate

ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate (PubChem CID 13400689) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
PubChem CID13400689
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Nameethyl 2-(4-formyl-3-hydroxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(C=O)c(O)c1
InChIInChI=1S/C11H12O5/c1-2-15-11(14)7-16-9-4-3-8(6-12)10(13)5-9/h3-6,13H,2,7H2,1H3
InChIKeyRKVKZCYDVITYGW-UHFFFAOYSA-N
XLogP1.15
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
ethyl 2-[4-(2-formylphenyl)sulfanylphenoxy]acetate
CID 139661445
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate
CID 168529079
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
2-hydroxy-4-(3-hydroxypropoxy)benzaldehyde
CID 86617706
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
CID 142179795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate?
The IUPAC name of ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate (CID 13400689) is ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate is CCOC(=O)COc1ccc(C=O)c(O)c1.
What is the InChIKey of ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate?
The InChIKey is RKVKZCYDVITYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-2-15-11(14)7-16-9-4-3-8(6-12)10(13)5-9/h3-6,13H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate?
ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate has a molecular weight of 224.21 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-formyl-3-hydroxyphenoxy)acetate is sourced from PubChem (CID 13400689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).