ethyl 3-phenoxypropanoate;hydrochloride

C11H15ClO3 — CID 172712926

IUPACethyl 3-phenoxypropanoate;hydrochloride
SMILESCCOC(=O)CCOc1ccccc1.Cl
InChIInChI=1S/C11H14O3.ClH/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3;1H
InChIKeyFMDNGTZCXHKDGM-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.44
Rot. Bonds5

About ethyl 3-phenoxypropanoate;hydrochloride

ethyl 3-phenoxypropanoate;hydrochloride (PubChem CID 172712926) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is ethyl 3-phenoxypropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-phenoxypropanoate;hydrochloride
PubChem CID172712926
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Nameethyl 3-phenoxypropanoate;hydrochloride
SMILESCCOC(=O)CCOc1ccccc1.Cl
InChIInChI=1S/C11H14O3.ClH/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3;1H
InChIKeyFMDNGTZCXHKDGM-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-phenoxypropanoate
CID 43389568
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
ethyl 3-(2-phenoxyethylamino)propanoate
CID 60647928
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 4-[4-(2-phenylethynyl)phenoxy]butanoate
CID 154694040
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
ethyl 3-[4-(4-bromophenyl)phenoxy]propanoate
CID 43365328
acetamido 3-phenoxypropanoate
CID 57060958

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenoxypropanoate;hydrochloride?
The IUPAC name of ethyl 3-phenoxypropanoate;hydrochloride (CID 172712926) is ethyl 3-phenoxypropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-phenoxypropanoate;hydrochloride?
The canonical SMILES for ethyl 3-phenoxypropanoate;hydrochloride is CCOC(=O)CCOc1ccccc1.Cl.
What is the InChIKey of ethyl 3-phenoxypropanoate;hydrochloride?
The InChIKey is FMDNGTZCXHKDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.ClH/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3;1H.
What are the key properties of ethyl 3-phenoxypropanoate;hydrochloride?
ethyl 3-phenoxypropanoate;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenoxypropanoate;hydrochloride is sourced from PubChem (CID 172712926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).