methoxycarbonyl 2-phenoxypropanoate

C11H12O5 — CID 174370299

IUPACmethoxycarbonyl 2-phenoxypropanoate
SMILESCOC(=O)OC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C11H12O5/c1-8(10(12)16-11(13)14-2)15-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyFPWRHIJFPKDLSV-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.76
Rot. Bonds3

About methoxycarbonyl 2-phenoxypropanoate

methoxycarbonyl 2-phenoxypropanoate (PubChem CID 174370299) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is methoxycarbonyl 2-phenoxypropanoate.

Molecular Properties

Compound Namemethoxycarbonyl 2-phenoxypropanoate
PubChem CID174370299
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namemethoxycarbonyl 2-phenoxypropanoate
SMILESCOC(=O)OC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C11H12O5/c1-8(10(12)16-11(13)14-2)15-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyFPWRHIJFPKDLSV-UHFFFAOYSA-N
XLogP1.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
N-methyl-2-phenoxypropanamide
CID 4626974
2-iodoethyl 2-phenoxypropanoate
CID 21411128
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
2-aminoethyl 2-phenoxypropanoate;hydrochloride
CID 174429606
2-methylidene-3-phenoxybutanoic acid
CID 21464511
phenyl (2S)-2-methoxypropanoate
CID 12621314

Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl 2-phenoxypropanoate?
The IUPAC name of methoxycarbonyl 2-phenoxypropanoate (CID 174370299) is methoxycarbonyl 2-phenoxypropanoate.
What is the SMILES notation for methoxycarbonyl 2-phenoxypropanoate?
The canonical SMILES for methoxycarbonyl 2-phenoxypropanoate is COC(=O)OC(=O)C(C)Oc1ccccc1.
What is the InChIKey of methoxycarbonyl 2-phenoxypropanoate?
The InChIKey is FPWRHIJFPKDLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-8(10(12)16-11(13)14-2)15-9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of methoxycarbonyl 2-phenoxypropanoate?
methoxycarbonyl 2-phenoxypropanoate has a molecular weight of 224.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl 2-phenoxypropanoate is sourced from PubChem (CID 174370299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).