3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one

C20H20O2 — CID 101467020

IUPAC3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one
SMILESCc1oc(C2=CCCCC2)c2c1CC(c1ccccc1)C2=O
InChIInChI=1S/C20H20O2/c1-13-16-12-17(14-8-4-2-5-9-14)19(21)18(16)20(22-13)15-10-6-3-7-11-15/h2,4-5,8-10,17H,3,6-7,11-12H2,1H3
InChIKeyJPTRMPNZCHNXLZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.07
Rot. Bonds2

About 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one

3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one (PubChem CID 101467020) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one
PubChem CID101467020
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one
SMILESCc1oc(C2=CCCCC2)c2c1CC(c1ccccc1)C2=O
InChIInChI=1S/C20H20O2/c1-13-16-12-17(14-8-4-2-5-9-14)19(21)18(16)20(22-13)15-10-6-3-7-11-15/h2,4-5,8-10,17H,3,6-7,11-12H2,1H3
InChIKeyJPTRMPNZCHNXLZ-UHFFFAOYSA-N
XLogP5.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one?
The IUPAC name of 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one (CID 101467020) is 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one is Cc1oc(C2=CCCCC2)c2c1CC(c1ccccc1)C2=O.
What is the InChIKey of 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one?
The InChIKey is JPTRMPNZCHNXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-13-16-12-17(14-8-4-2-5-9-14)19(21)18(16)20(22-13)15-10-6-3-7-11-15/h2,4-5,8-10,17H,3,6-7,11-12H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one?
3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one has a molecular weight of 292.38 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1-methyl-5-phenyl-5,6-dihydrocyclopenta[c]furan-4-one is sourced from PubChem (CID 101467020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).