methyl 2-(2-formylphenoxy)acetate

C10H10O4 — CID 5151625

IUPACmethyl 2-(2-formylphenoxy)acetate
SMILESCOC(=O)COc1ccccc1C=O
InChIInChI=1S/C10H10O4/c1-13-10(12)7-14-9-5-3-2-4-8(9)6-11/h2-6H,7H2,1H3
InChIKeyBRNZMMUFVVXGGN-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-(2-formylphenoxy)acetate

methyl 2-(2-formylphenoxy)acetate (PubChem CID 5151625) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-formylphenoxy)acetate
PubChem CID5151625
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl 2-(2-formylphenoxy)acetate
SMILESCOC(=O)COc1ccccc1C=O
InChIInChI=1S/C10H10O4/c1-13-10(12)7-14-9-5-3-2-4-8(9)6-11/h2-6H,7H2,1H3
InChIKeyBRNZMMUFVVXGGN-UHFFFAOYSA-N
XLogP1.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-bromo-3-formylphenoxy)acetate
CID 59515358
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
methyl 2-[2-(2-cyanoethenyl)phenoxy]acetate
CID 169484517
[(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
2,2,2-trifluoroethyl 2-(2-formylphenoxy)acetate
CID 87891614
ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 169481272
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197712
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
methyl 2-[2-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate
CID 71669942
CID 58544147
CID 58544147
methyl 2-[2-(4-formyl-1-methylpyrazol-3-yl)phenoxy]acetate
CID 104508656

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-formylphenoxy)acetate?
The IUPAC name of methyl 2-(2-formylphenoxy)acetate (CID 5151625) is methyl 2-(2-formylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-formylphenoxy)acetate?
The canonical SMILES for methyl 2-(2-formylphenoxy)acetate is COC(=O)COc1ccccc1C=O.
What is the InChIKey of methyl 2-(2-formylphenoxy)acetate?
The InChIKey is BRNZMMUFVVXGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-10(12)7-14-9-5-3-2-4-8(9)6-11/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(2-formylphenoxy)acetate?
methyl 2-(2-formylphenoxy)acetate has a molecular weight of 194.19 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-formylphenoxy)acetate is sourced from PubChem (CID 5151625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).