2-benzhydryl-2,3-dihydropyran-6-one

C18H16O2 — CID 56661784

IUPAC2-benzhydryl-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C18H16O2/c19-17-13-7-12-16(20-17)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-11,13,16,18H,12H2
InChIKeyPVORHLREYCCDKE-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.69
Rot. Bonds3

About 2-benzhydryl-2,3-dihydropyran-6-one

2-benzhydryl-2,3-dihydropyran-6-one (PubChem CID 56661784) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-benzhydryl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-benzhydryl-2,3-dihydropyran-6-one
PubChem CID56661784
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-benzhydryl-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C18H16O2/c19-17-13-7-12-16(20-17)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-11,13,16,18H,12H2
InChIKeyPVORHLREYCCDKE-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-2,3-dihydropyran-6-one?
The IUPAC name of 2-benzhydryl-2,3-dihydropyran-6-one (CID 56661784) is 2-benzhydryl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-benzhydryl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-benzhydryl-2,3-dihydropyran-6-one is O=C1C=CCC(C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 2-benzhydryl-2,3-dihydropyran-6-one?
The InChIKey is PVORHLREYCCDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-17-13-7-12-16(20-17)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-11,13,16,18H,12H2.
What are the key properties of 2-benzhydryl-2,3-dihydropyran-6-one?
2-benzhydryl-2,3-dihydropyran-6-one has a molecular weight of 264.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-2,3-dihydropyran-6-one is sourced from PubChem (CID 56661784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).