2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one

C19H20ClNO3 — CID 131900131

IUPAC2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
SMILESCc1cccc(OC2CN(C(=O)C(C)Oc3cccc(Cl)c3)C2)c1
InChIInChI=1S/C19H20ClNO3/c1-13-5-3-7-16(9-13)24-18-11-21(12-18)19(22)14(2)23-17-8-4-6-15(20)10-17/h3-10,14,18H,11-12H2,1-2H3
InChIKeyIFYXATUJKRCQDA-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.71
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one

2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one (PubChem CID 131900131) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
PubChem CID131900131
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
SMILESCc1cccc(OC2CN(C(=O)C(C)Oc3cccc(Cl)c3)C2)c1
InChIInChI=1S/C19H20ClNO3/c1-13-5-3-7-16(9-13)24-18-11-21(12-18)19(22)14(2)23-17-8-4-6-15(20)10-17/h3-10,14,18H,11-12H2,1-2H3
InChIKeyIFYXATUJKRCQDA-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-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

3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
CID 15042230
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
1-(3-amino-5-methylpiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 79994536
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119934342
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one
CID 70773882
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 82044939
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one
CID 63395750

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one (CID 131900131) is 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one is Cc1cccc(OC2CN(C(=O)C(C)Oc3cccc(Cl)c3)C2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one?
The InChIKey is IFYXATUJKRCQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13-5-3-7-16(9-13)24-18-11-21(12-18)19(22)14(2)23-17-8-4-6-15(20)10-17/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one?
2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one has a molecular weight of 345.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 131900131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).