ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate

C18H20O3 — CID 10731774

IUPACethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)=CC(C)=C1CC(C)=O
InChIInChI=1S/C18H20O3/c1-4-21-18(20)17-15(11-13(3)19)12(2)10-16(17)14-8-6-5-7-9-14/h5-10,17H,4,11H2,1-3H3
InChIKeyMNSLWDZJJZNQET-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds5

About ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate

ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate (PubChem CID 10731774) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate
PubChem CID10731774
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Nameethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)=CC(C)=C1CC(C)=O
InChIInChI=1S/C18H20O3/c1-4-21-18(20)17-15(11-13(3)19)12(2)10-16(17)14-8-6-5-7-9-14/h5-10,17H,4,11H2,1-3H3
InChIKeyMNSLWDZJJZNQET-UHFFFAOYSA-N
XLogP3.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.56
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 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate?
The IUPAC name of ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate (CID 10731774) is ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate?
The canonical SMILES for ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate is CCOC(=O)C1C(c2ccccc2)=CC(C)=C1CC(C)=O.
What is the InChIKey of ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate?
The InChIKey is MNSLWDZJJZNQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-21-18(20)17-15(11-13(3)19)12(2)10-16(17)14-8-6-5-7-9-14/h5-10,17H,4,11H2,1-3H3.
What are the key properties of ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate?
ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-(2-oxopropyl)-5-phenylcyclopenta-2,4-diene-1-carboxylate is sourced from PubChem (CID 10731774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).