4-[4-(hydroxymethyl)phenoxy]azetidin-2-one

C10H11NO3 — CID 86745595

IUPAC4-[4-(hydroxymethyl)phenoxy]azetidin-2-one
SMILESO=C1CC(Oc2ccc(CO)cc2)N1
InChIInChI=1S/C10H11NO3/c12-6-7-1-3-8(4-2-7)14-10-5-9(13)11-10/h1-4,10,12H,5-6H2,(H,11,13)
InChIKeyLNKNINANYJQKKS-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.40
Rot. Bonds3

About 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one

4-[4-(hydroxymethyl)phenoxy]azetidin-2-one (PubChem CID 86745595) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenoxy]azetidin-2-one
PubChem CID86745595
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-[4-(hydroxymethyl)phenoxy]azetidin-2-one
SMILESO=C1CC(Oc2ccc(CO)cc2)N1
InChIInChI=1S/C10H11NO3/c12-6-7-1-3-8(4-2-7)14-10-5-9(13)11-10/h1-4,10,12H,5-6H2,(H,11,13)
InChIKeyLNKNINANYJQKKS-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one?
The IUPAC name of 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one (CID 86745595) is 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one?
The canonical SMILES for 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one is O=C1CC(Oc2ccc(CO)cc2)N1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one?
The InChIKey is LNKNINANYJQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-7-1-3-8(4-2-7)14-10-5-9(13)11-10/h1-4,10,12H,5-6H2,(H,11,13).
What are the key properties of 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one?
4-[4-(hydroxymethyl)phenoxy]azetidin-2-one has a molecular weight of 193.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)phenoxy]azetidin-2-one is sourced from PubChem (CID 86745595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).