3-benzhydryloxolan-2-one

C17H16O2 — CID 10467382

IUPAC3-benzhydryloxolan-2-one
SMILESO=C1OCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-17-15(11-12-19-17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyYNZGHJMUADRCNA-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.38
Rot. Bonds3

About 3-benzhydryloxolan-2-one

3-benzhydryloxolan-2-one (PubChem CID 10467382) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-benzhydryloxolan-2-one.

Molecular Properties

Compound Name3-benzhydryloxolan-2-one
PubChem CID10467382
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-benzhydryloxolan-2-one
SMILESO=C1OCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-17-15(11-12-19-17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyYNZGHJMUADRCNA-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxolan-2-one?
The IUPAC name of 3-benzhydryloxolan-2-one (CID 10467382) is 3-benzhydryloxolan-2-one.
What is the SMILES notation for 3-benzhydryloxolan-2-one?
The canonical SMILES for 3-benzhydryloxolan-2-one is O=C1OCCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryloxolan-2-one?
The InChIKey is YNZGHJMUADRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17-15(11-12-19-17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of 3-benzhydryloxolan-2-one?
3-benzhydryloxolan-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxolan-2-one is sourced from PubChem (CID 10467382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).