propyl 3-phenoxypropanoate

C12H16O3 — CID 43389568

IUPACpropyl 3-phenoxypropanoate
SMILESCCCOC(=O)CCOc1ccccc1
InChIInChI=1S/C12H16O3/c1-2-9-15-12(13)8-10-14-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyMFFADZBBCNESQN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.41
Rot. Bonds6

About propyl 3-phenoxypropanoate

propyl 3-phenoxypropanoate (PubChem CID 43389568) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is propyl 3-phenoxypropanoate.

Molecular Properties

Compound Namepropyl 3-phenoxypropanoate
PubChem CID43389568
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namepropyl 3-phenoxypropanoate
SMILESCCCOC(=O)CCOc1ccccc1
InChIInChI=1S/C12H16O3/c1-2-9-15-12(13)8-10-14-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyMFFADZBBCNESQN-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
2-phenoxyethyl pentadecanoate
CID 21424175
2-phenoxyethyl undecanoate
CID 54508523
1-phenoxyhexan-3-one
CID 60797707
propyl 3-(2,6-dimethylphenoxy)propanoate
CID 78862887
acetamido 3-phenoxypropanoate
CID 57060958
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
butane;3-oxo-3-(2-phenoxyethoxy)propanoic acid
CID 70425950

Frequently Asked Questions

What is the IUPAC name of propyl 3-phenoxypropanoate?
The IUPAC name of propyl 3-phenoxypropanoate (CID 43389568) is propyl 3-phenoxypropanoate.
What is the SMILES notation for propyl 3-phenoxypropanoate?
The canonical SMILES for propyl 3-phenoxypropanoate is CCCOC(=O)CCOc1ccccc1.
What is the InChIKey of propyl 3-phenoxypropanoate?
The InChIKey is MFFADZBBCNESQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-9-15-12(13)8-10-14-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of propyl 3-phenoxypropanoate?
propyl 3-phenoxypropanoate has a molecular weight of 208.26 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-phenoxypropanoate is sourced from PubChem (CID 43389568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).