4-benzyloxolan-2-one

C11H12O2 — CID 5150640

IUPAC4-benzyloxolan-2-one
SMILESO=C1CC(Cc2ccccc2)CO1
InChIInChI=1S/C11H12O2/c12-11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyYKUMFVKVLCXLOE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.79
Rot. Bonds2

About 4-benzyloxolan-2-one

4-benzyloxolan-2-one (PubChem CID 5150640) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-benzyloxolan-2-one.

Molecular Properties

Compound Name4-benzyloxolan-2-one
PubChem CID5150640
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-benzyloxolan-2-one
SMILESO=C1CC(Cc2ccccc2)CO1
InChIInChI=1S/C11H12O2/c12-11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyYKUMFVKVLCXLOE-UHFFFAOYSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyloxolan-2-one?
The IUPAC name of 4-benzyloxolan-2-one (CID 5150640) is 4-benzyloxolan-2-one.
What is the SMILES notation for 4-benzyloxolan-2-one?
The canonical SMILES for 4-benzyloxolan-2-one is O=C1CC(Cc2ccccc2)CO1.
What is the InChIKey of 4-benzyloxolan-2-one?
The InChIKey is YKUMFVKVLCXLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-11-7-10(8-13-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 4-benzyloxolan-2-one?
4-benzyloxolan-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyloxolan-2-one is sourced from PubChem (CID 5150640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).