ethyl (2-formylphenoxy)methyl carbonate

C11H12O5 — CID 87319171

IUPACethyl (2-formylphenoxy)methyl carbonate
SMILESCCOC(=O)OCOc1ccccc1C=O
InChIInChI=1S/C11H12O5/c1-2-14-11(13)16-8-15-10-6-4-3-5-9(10)7-12/h3-7H,2,8H2,1H3
InChIKeyRSLNMSYAGAQXAZ-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.01
Rot. Bonds5

About ethyl (2-formylphenoxy)methyl carbonate

ethyl (2-formylphenoxy)methyl carbonate (PubChem CID 87319171) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is ethyl (2-formylphenoxy)methyl carbonate.

Molecular Properties

Compound Nameethyl (2-formylphenoxy)methyl carbonate
PubChem CID87319171
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Nameethyl (2-formylphenoxy)methyl carbonate
SMILESCCOC(=O)OCOc1ccccc1C=O
InChIInChI=1S/C11H12O5/c1-2-14-11(13)16-8-15-10-6-4-3-5-9(10)7-12/h3-7H,2,8H2,1H3
InChIKeyRSLNMSYAGAQXAZ-UHFFFAOYSA-N
XLogP2.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
ethyl (E)-4-(2-formylphenoxy)-2-methylbut-2-enoate
CID 102349287
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
CID 28913574
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-(cyclopropyloxymethoxy)benzaldehyde
CID 141326777
methyl 2-(2-formylphenoxy)acetate
CID 5151625
ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608944
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608938

Frequently Asked Questions

What is the IUPAC name of ethyl (2-formylphenoxy)methyl carbonate?
The IUPAC name of ethyl (2-formylphenoxy)methyl carbonate (CID 87319171) is ethyl (2-formylphenoxy)methyl carbonate.
What is the SMILES notation for ethyl (2-formylphenoxy)methyl carbonate?
The canonical SMILES for ethyl (2-formylphenoxy)methyl carbonate is CCOC(=O)OCOc1ccccc1C=O.
What is the InChIKey of ethyl (2-formylphenoxy)methyl carbonate?
The InChIKey is RSLNMSYAGAQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-2-14-11(13)16-8-15-10-6-4-3-5-9(10)7-12/h3-7H,2,8H2,1H3.
What are the key properties of ethyl (2-formylphenoxy)methyl carbonate?
ethyl (2-formylphenoxy)methyl carbonate has a molecular weight of 224.21 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-formylphenoxy)methyl carbonate is sourced from PubChem (CID 87319171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).