3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane

C22H26O2 — CID 101228583

IUPAC3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane
SMILESCCC1(c2ccc(-c3ccc(C4(CC)COC4)cc3)cc2)COC1
InChIInChI=1S/C22H26O2/c1-3-21(13-23-14-21)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22(4-2)15-24-16-22/h5-12H,3-4,13-16H2,1-2H3
InChIKeyUAHKGDIZVYMTSN-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.71
Rot. Bonds5

About 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane

3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane (PubChem CID 101228583) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane
PubChem CID101228583
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane
SMILESCCC1(c2ccc(-c3ccc(C4(CC)COC4)cc3)cc2)COC1
InChIInChI=1S/C22H26O2/c1-3-21(13-23-14-21)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22(4-2)15-24-16-22/h5-12H,3-4,13-16H2,1-2H3
InChIKeyUAHKGDIZVYMTSN-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane 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

N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine
CID 116869650
3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane
CID 130476683
1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
CID 89447294
[3-(4-propylphenyl)oxetan-3-yl]methanamine
CID 116829594
[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol
CID 147383497
2-methyl-2-[4-[4-(2-methyloxiran-2-yl)phenyl]phenyl]oxirane
CID 146305548
2-[3-(4-ethylsulfonylphenyl)oxetan-3-yl]ethanamine
CID 116869588
3-(4-butan-2-ylphenyl)-3-(2-chloroethyl)oxetane
CID 116871483
1-[3-(4-propylphenyl)oxetan-3-yl]propan-2-one
CID 116873804
3-ethyl-5-methyl-3-phenyloxane
CID 20826371
3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane
CID 116871432
2-[3-(4-ethylsulfanylphenyl)oxetan-3-yl]acetic acid
CID 116871876

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane?
The IUPAC name of 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane (CID 101228583) is 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane?
The canonical SMILES for 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane is CCC1(c2ccc(-c3ccc(C4(CC)COC4)cc3)cc2)COC1.
What is the InChIKey of 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane?
The InChIKey is UAHKGDIZVYMTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-3-21(13-23-14-21)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22(4-2)15-24-16-22/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane?
3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane has a molecular weight of 322.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane is sourced from PubChem (CID 101228583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).