[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone

C23H21NO3 — CID 70775085

IUPAC[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
SMILESCOc1cccc(OC2CN(C(=O)c3ccccc3-c3ccccc3)C2)c1
InChIInChI=1S/C23H21NO3/c1-26-18-10-7-11-19(14-18)27-20-15-24(16-20)23(25)22-13-6-5-12-21(22)17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3
InChIKeyZTGYUJLKJJCHSA-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.27
Rot. Bonds5

About [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone

[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 70775085) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID70775085
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
SMILESCOc1cccc(OC2CN(C(=O)c3ccccc3-c3ccccc3)C2)c1
InChIInChI=1S/C23H21NO3/c1-26-18-10-7-11-19(14-18)27-20-15-24(16-20)23(25)22-13-6-5-12-21(22)17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3
InChIKeyZTGYUJLKJJCHSA-UHFFFAOYSA-N
XLogP4.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methoxyphenoxy)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131920038
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 131914476
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 37280250
2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone
CID 131890137
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone (CID 70775085) is [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone is COc1cccc(OC2CN(C(=O)c3ccccc3-c3ccccc3)C2)c1.
What is the InChIKey of [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is ZTGYUJLKJJCHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-26-18-10-7-11-19(14-18)27-20-15-24(16-20)23(25)22-13-6-5-12-21(22)17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3.
What are the key properties of [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone?
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 359.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 70775085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).