2-benzhydryloxy-2H-pyran-5-one

C18H16O3 — CID 68616900

IUPAC2-benzhydryloxy-2H-pyran-5-one
SMILESO=C1C=CC(OC(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H16O3/c19-16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,17-18H,13H2
InChIKeyNMTNMROCMKYKGC-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.27
Rot. Bonds4

About 2-benzhydryloxy-2H-pyran-5-one

2-benzhydryloxy-2H-pyran-5-one (PubChem CID 68616900) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-benzhydryloxy-2H-pyran-5-one.

Molecular Properties

Compound Name2-benzhydryloxy-2H-pyran-5-one
PubChem CID68616900
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-benzhydryloxy-2H-pyran-5-one
SMILESO=C1C=CC(OC(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C18H16O3/c19-16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,17-18H,13H2
InChIKeyNMTNMROCMKYKGC-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-2H-pyran-5-one?
The IUPAC name of 2-benzhydryloxy-2H-pyran-5-one (CID 68616900) is 2-benzhydryloxy-2H-pyran-5-one.
What is the SMILES notation for 2-benzhydryloxy-2H-pyran-5-one?
The canonical SMILES for 2-benzhydryloxy-2H-pyran-5-one is O=C1C=CC(OC(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of 2-benzhydryloxy-2H-pyran-5-one?
The InChIKey is NMTNMROCMKYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-16-11-12-17(20-13-16)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,17-18H,13H2.
What are the key properties of 2-benzhydryloxy-2H-pyran-5-one?
2-benzhydryloxy-2H-pyran-5-one has a molecular weight of 280.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-2H-pyran-5-one is sourced from PubChem (CID 68616900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).