(4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one

C14H16O2 — CID 134947311

IUPAC(4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one
SMILESCCOC1=C[C@@H](c2ccccc2)C(C)C1=O
InChIInChI=1S/C14H16O2/c1-3-16-13-9-12(10(2)14(13)15)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/t10?,12-/m1/s1
InChIKeyWJZXMRHPAPQQAE-TVKKRMFBSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds3

About (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one

(4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one (PubChem CID 134947311) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one
PubChem CID134947311
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one
SMILESCCOC1=C[C@@H](c2ccccc2)C(C)C1=O
InChIInChI=1S/C14H16O2/c1-3-16-13-9-12(10(2)14(13)15)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/t10?,12-/m1/s1
InChIKeyWJZXMRHPAPQQAE-TVKKRMFBSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-5-methylidene-4-phenylcyclopent-2-en-1-one
CID 11321848
(3aR,4S,7R,7aR)-2-(4-ethoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98171061
4-ethoxy-1,1-dioxo-2,5-diphenylthiophen-3-one
CID 12570199
(2S)-3-ethoxy-2-phenyl-2H-furan-5-one
CID 102003164
(2R)-3-ethoxy-2-phenyl-2H-furan-5-one
CID 102003165
2-(4-ethoxyphenyl)indene-1,3-dione
CID 622331
2-ethyl-4-methyl-3-phenylcyclobutan-1-one
CID 81421315
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
ethoxybenzene chloride
CID 21193593
3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline
CID 10890781
ethyl (4R,5R)-3-oxo-2,4,5-triphenylcyclopentene-1-carboxylate
CID 132560560

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one?
The IUPAC name of (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one (CID 134947311) is (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one is CCOC1=C[C@@H](c2ccccc2)C(C)C1=O.
What is the InChIKey of (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one?
The InChIKey is WJZXMRHPAPQQAE-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-16-13-9-12(10(2)14(13)15)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3/t10?,12-/m1/s1.
What are the key properties of (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one?
(4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 134947311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).