ethyl 5-phenylcyclopentene-1-carboxylate

C14H16O2 — CID 11514036

IUPACethyl 5-phenylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1c1ccccc1
InChIInChI=1S/C14H16O2/c1-2-16-14(15)13-10-6-9-12(13)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3
InChIKeyGJRUUBRBELXTTL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds3

About ethyl 5-phenylcyclopentene-1-carboxylate

ethyl 5-phenylcyclopentene-1-carboxylate (PubChem CID 11514036) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 5-phenylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenylcyclopentene-1-carboxylate
PubChem CID11514036
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl 5-phenylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=CCCC1c1ccccc1
InChIInChI=1S/C14H16O2/c1-2-16-14(15)13-10-6-9-12(13)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3
InChIKeyGJRUUBRBELXTTL-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenylcyclopentene-1-carboxylate?
The IUPAC name of ethyl 5-phenylcyclopentene-1-carboxylate (CID 11514036) is ethyl 5-phenylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 5-phenylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl 5-phenylcyclopentene-1-carboxylate is CCOC(=O)C1=CCCC1c1ccccc1.
What is the InChIKey of ethyl 5-phenylcyclopentene-1-carboxylate?
The InChIKey is GJRUUBRBELXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-16-14(15)13-10-6-9-12(13)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3.
What are the key properties of ethyl 5-phenylcyclopentene-1-carboxylate?
ethyl 5-phenylcyclopentene-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenylcyclopentene-1-carboxylate is sourced from PubChem (CID 11514036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).