ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate

C15H18O3 — CID 13161755

IUPACethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(C2C=CCC2)cc1
InChIInChI=1S/C15H18O3/c1-2-17-15(16)11-18-14-9-7-13(8-10-14)12-5-3-4-6-12/h3,5,7-10,12H,2,4,6,11H2,1H3
InChIKeyKRSTTZIBTVFJJY-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.06
Rot. Bonds5

About ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate

ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate (PubChem CID 13161755) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate
PubChem CID13161755
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(C2C=CCC2)cc1
InChIInChI=1S/C15H18O3/c1-2-17-15(16)11-18-14-9-7-13(8-10-14)12-5-3-4-6-12/h3,5,7-10,12H,2,4,6,11H2,1H3
InChIKeyKRSTTZIBTVFJJY-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4R)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1102738
ethyl 2-cyclopent-2-en-1-yloxyacetate
CID 142141236
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
[4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
CID 46739273
ethyl 2-[4-[(Z)-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]iminomethyl]phenoxy]acetate
CID 11892910
ethyl 2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]acetate
CID 86604944
(2S)-1-[4-[(1R)-cyclopent-2-en-1-yl]phenoxy]-3-[4-[(2S)-3-[4-[(1R)-cyclopent-2-en-1-yl]phenoxy]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51621551
ethyl 2-[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]acetate
CID 7310631
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61489511
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate (CID 13161755) is ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate is CCOC(=O)COc1ccc(C2C=CCC2)cc1.
What is the InChIKey of ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate?
The InChIKey is KRSTTZIBTVFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-17-15(16)11-18-14-9-7-13(8-10-14)12-5-3-4-6-12/h3,5,7-10,12H,2,4,6,11H2,1H3.
What are the key properties of ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate?
ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate has a molecular weight of 246.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate is sourced from PubChem (CID 13161755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).