(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one

C10H9Cl2NO2 — CID 70971063

IUPAC(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one
SMILESO=C1C[C@H](COc2cc(Cl)cc(Cl)c2)N1
InChIInChI=1S/C10H9Cl2NO2/c11-6-1-7(12)3-9(2-6)15-5-8-4-10(14)13-8/h1-3,8H,4-5H2,(H,13,14)/t8-/m1/s1
InChIKeyHNDSLMCDHQEGMY-MRVPVSSYSA-N
MW246.09 g/mol
LogP2.26
Rot. Bonds3

About (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one

(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one (PubChem CID 70971063) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one
PubChem CID70971063
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one
SMILESO=C1C[C@H](COc2cc(Cl)cc(Cl)c2)N1
InChIInChI=1S/C10H9Cl2NO2/c11-6-1-7(12)3-9(2-6)15-5-8-4-10(14)13-8/h1-3,8H,4-5H2,(H,13,14)/t8-/m1/s1
InChIKeyHNDSLMCDHQEGMY-MRVPVSSYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one?
The IUPAC name of (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one (CID 70971063) is (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one.
What is the SMILES notation for (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one?
The canonical SMILES for (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one is O=C1C[C@H](COc2cc(Cl)cc(Cl)c2)N1.
What is the InChIKey of (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one?
The InChIKey is HNDSLMCDHQEGMY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-6-1-7(12)3-9(2-6)15-5-8-4-10(14)13-8/h1-3,8H,4-5H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one?
(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one has a molecular weight of 246.09 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one is sourced from PubChem (CID 70971063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).