1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine

C22H25NO — CID 54325787

IUPAC1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine
SMILESC(=C1CCCCC1N1CCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H25NO/c1-2-8-20(9-3-1)24-21-13-11-18(12-14-21)17-19-7-4-5-10-22(19)23-15-6-16-23/h1-3,8-9,11-14,17,22H,4-7,10,15-16H2
InChIKeySUUYVZCHQGUKFN-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.51
Rot. Bonds4

About 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine

1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine (PubChem CID 54325787) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine.

Molecular Properties

Compound Name1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine
PubChem CID54325787
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine
SMILESC(=C1CCCCC1N1CCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H25NO/c1-2-8-20(9-3-1)24-21-13-11-18(12-14-21)17-19-7-4-5-10-22(19)23-15-6-16-23/h1-3,8-9,11-14,17,22H,4-7,10,15-16H2
InChIKeySUUYVZCHQGUKFN-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine?
The IUPAC name of 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine (CID 54325787) is 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine.
What is the SMILES notation for 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine?
The canonical SMILES for 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine is C(=C1CCCCC1N1CCC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine?
The InChIKey is SUUYVZCHQGUKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-8-20(9-3-1)24-21-13-11-18(12-14-21)17-19-7-4-5-10-22(19)23-15-6-16-23/h1-3,8-9,11-14,17,22H,4-7,10,15-16H2.
What are the key properties of 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine?
1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine has a molecular weight of 319.45 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-phenoxyphenyl)methylidene]cyclohexyl]azetidine is sourced from PubChem (CID 54325787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).