ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate

C16H22O3 — CID 142671917

IUPACethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1cccc(OC)c1C1CCCC1
InChIInChI=1S/C16H22O3/c1-3-19-15(17)11-13-9-6-10-14(18-2)16(13)12-7-4-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyNJKZCRHECKNSDO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.46
Rot. Bonds5

About ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate

ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate (PubChem CID 142671917) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
PubChem CID142671917
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1cccc(OC)c1C1CCCC1
InChIInChI=1S/C16H22O3/c1-3-19-15(17)11-13-9-6-10-14(18-2)16(13)12-7-4-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyNJKZCRHECKNSDO-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate (CID 142671917) is ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate is CCOC(=O)Cc1cccc(OC)c1C1CCCC1.
What is the InChIKey of ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate?
The InChIKey is NJKZCRHECKNSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-19-15(17)11-13-9-6-10-14(18-2)16(13)12-7-4-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3.
What are the key properties of ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate?
ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate has a molecular weight of 262.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate is sourced from PubChem (CID 142671917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).