(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
CID 138485152
5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one
CID 143178317
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
CID 84689444
(4S)-4-(chloromethyl)azetidin-2-one
CID 148668649
tert-butyl 3-[(3,5-dichlorophenoxy)methyl]azetidine-1-carboxylate
CID 139271451
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768
1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one
CID 39359938
2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxoacetic acid
CID 117389704
2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119333514
1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
CID 154815248
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458

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).