5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C14H14O2 — CID 11160203

IUPAC5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1CC(c2ccccc2)C2=C1OCCC2
InChIInChI=1S/C14H14O2/c15-13-9-12(10-5-2-1-3-6-10)11-7-4-8-16-14(11)13/h1-3,5-6,12H,4,7-9H2
InChIKeyVPHHSRDCLDRNHY-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.81
Rot. Bonds1

About 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 11160203) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID11160203
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1CC(c2ccccc2)C2=C1OCCC2
InChIInChI=1S/C14H14O2/c15-13-9-12(10-5-2-1-3-6-10)11-7-4-8-16-14(11)13/h1-3,5-6,12H,4,7-9H2
InChIKeyVPHHSRDCLDRNHY-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 11160203) is 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is O=C1CC(c2ccccc2)C2=C1OCCC2.
What is the InChIKey of 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is VPHHSRDCLDRNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-9-12(10-5-2-1-3-6-10)11-7-4-8-16-14(11)13/h1-3,5-6,12H,4,7-9H2.
What are the key properties of 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 214.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 11160203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).