1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one

C15H18O2 — CID 102335446

IUPAC1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one
SMILESCCC(=O)C[C@@H]1C=CC[C@H](c2ccccc2)O1
InChIInChI=1S/C15H18O2/c1-2-13(16)11-14-9-6-10-15(17-14)12-7-4-3-5-8-12/h3-9,14-15H,2,10-11H2,1H3/t14-,15+/m0/s1
InChIKeySPQBZQLLMCUBME-LSDHHAIUSA-N
MW230.31 g/mol
LogP3.44
Rot. Bonds4

About 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one

1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one (PubChem CID 102335446) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one.

Molecular Properties

Compound Name1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one
PubChem CID102335446
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one
SMILESCCC(=O)C[C@@H]1C=CC[C@H](c2ccccc2)O1
InChIInChI=1S/C15H18O2/c1-2-13(16)11-14-9-6-10-15(17-14)12-7-4-3-5-8-12/h3-9,14-15H,2,10-11H2,1H3/t14-,15+/m0/s1
InChIKeySPQBZQLLMCUBME-LSDHHAIUSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one?
The IUPAC name of 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one (CID 102335446) is 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one.
What is the SMILES notation for 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one?
The canonical SMILES for 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one is CCC(=O)C[C@@H]1C=CC[C@H](c2ccccc2)O1.
What is the InChIKey of 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one?
The InChIKey is SPQBZQLLMCUBME-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-13(16)11-14-9-6-10-15(17-14)12-7-4-3-5-8-12/h3-9,14-15H,2,10-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one?
1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one is sourced from PubChem (CID 102335446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).