ethyl 2-(3-ethylphenoxy)pentanoate

C15H22O3 — CID 83038247

IUPACethyl 2-(3-ethylphenoxy)pentanoate
SMILESCCCC(Oc1cccc(CC)c1)C(=O)OCC
InChIInChI=1S/C15H22O3/c1-4-8-14(15(16)17-6-3)18-13-10-7-9-12(5-2)11-13/h7,9-11,14H,4-6,8H2,1-3H3
InChIKeyHEIGMQDAIOHXDL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.36
Rot. Bonds7

About ethyl 2-(3-ethylphenoxy)pentanoate

ethyl 2-(3-ethylphenoxy)pentanoate (PubChem CID 83038247) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-(3-ethylphenoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-ethylphenoxy)pentanoate
PubChem CID83038247
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 2-(3-ethylphenoxy)pentanoate
SMILESCCCC(Oc1cccc(CC)c1)C(=O)OCC
InChIInChI=1S/C15H22O3/c1-4-8-14(15(16)17-6-3)18-13-10-7-9-12(5-2)11-13/h7,9-11,14H,4-6,8H2,1-3H3
InChIKeyHEIGMQDAIOHXDL-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate
CID 103566157
ethyl 2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 64669104
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
2-(3-aminophenoxy)-1-(4-ethylphenyl)pentan-1-one
CID 46307484
diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
CID 2922326
1-(3-ethylphenoxy)ethanol
CID 66709778
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
2-phenoxypentaneperoxoic acid
CID 18459699
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
ethyl 2-phenoxydecanoate
CID 101000092
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83038303

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylphenoxy)pentanoate?
The IUPAC name of ethyl 2-(3-ethylphenoxy)pentanoate (CID 83038247) is ethyl 2-(3-ethylphenoxy)pentanoate.
What is the SMILES notation for ethyl 2-(3-ethylphenoxy)pentanoate?
The canonical SMILES for ethyl 2-(3-ethylphenoxy)pentanoate is CCCC(Oc1cccc(CC)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(3-ethylphenoxy)pentanoate?
The InChIKey is HEIGMQDAIOHXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-8-14(15(16)17-6-3)18-13-10-7-9-12(5-2)11-13/h7,9-11,14H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-(3-ethylphenoxy)pentanoate?
ethyl 2-(3-ethylphenoxy)pentanoate has a molecular weight of 250.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylphenoxy)pentanoate is sourced from PubChem (CID 83038247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).