ethyl 5-(2-ethoxyphenyl)pentanoate

C15H22O3 — CID 118039876

IUPACethyl 5-(2-ethoxyphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccccc1OCC
InChIInChI=1S/C15H22O3/c1-3-17-14-11-7-5-9-13(14)10-6-8-12-15(16)18-4-2/h5,7,9,11H,3-4,6,8,10,12H2,1-2H3
InChIKeyNNBUGVGQXWZQBE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.36
Rot. Bonds8

About ethyl 5-(2-ethoxyphenyl)pentanoate

ethyl 5-(2-ethoxyphenyl)pentanoate (PubChem CID 118039876) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 5-(2-ethoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2-ethoxyphenyl)pentanoate
PubChem CID118039876
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 5-(2-ethoxyphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccccc1OCC
InChIInChI=1S/C15H22O3/c1-3-17-14-11-7-5-9-13(14)10-6-8-12-15(16)18-4-2/h5,7,9,11H,3-4,6,8,10,12H2,1-2H3
InChIKeyNNBUGVGQXWZQBE-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
ethyl 17-(2-aminophenyl)heptadecanoate
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butyl 3-(2-ethoxyphenyl)propanoate
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(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
CID 3023197
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
1-decyl-2-ethoxybenzene
CID 175243335
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate
CID 159268955

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethoxyphenyl)pentanoate?
The IUPAC name of ethyl 5-(2-ethoxyphenyl)pentanoate (CID 118039876) is ethyl 5-(2-ethoxyphenyl)pentanoate.
What is the SMILES notation for ethyl 5-(2-ethoxyphenyl)pentanoate?
The canonical SMILES for ethyl 5-(2-ethoxyphenyl)pentanoate is CCOC(=O)CCCCc1ccccc1OCC.
What is the InChIKey of ethyl 5-(2-ethoxyphenyl)pentanoate?
The InChIKey is NNBUGVGQXWZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-17-14-11-7-5-9-13(14)10-6-8-12-15(16)18-4-2/h5,7,9,11H,3-4,6,8,10,12H2,1-2H3.
What are the key properties of ethyl 5-(2-ethoxyphenyl)pentanoate?
ethyl 5-(2-ethoxyphenyl)pentanoate has a molecular weight of 250.34 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethoxyphenyl)pentanoate is sourced from PubChem (CID 118039876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).