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

C15H16O2 — CID 73315239

IUPAC2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC1CCC2=C(O1)C(=O)CC2c1ccccc1
InChIInChI=1S/C15H16O2/c1-10-7-8-12-13(9-14(16)15(12)17-10)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyRPLNDFRYXJQNOY-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.20
Rot. Bonds1

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

2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 73315239) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID73315239
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCC1CCC2=C(O1)C(=O)CC2c1ccccc1
InChIInChI=1S/C15H16O2/c1-10-7-8-12-13(9-14(16)15(12)17-10)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyRPLNDFRYXJQNOY-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 73315239) is 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CC1CCC2=C(O1)C(=O)CC2c1ccccc1.
What is the InChIKey of 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is RPLNDFRYXJQNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-7-8-12-13(9-14(16)15(12)17-10)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3.
What are the key properties of 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 228.29 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 73315239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).