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

C24H30O2 — CID 130476683

IUPAC3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane
SMILESCCC1(Cc2ccc(-c3ccc(CC4(CC)COC4)cc3)cc2)COC1
InChIInChI=1S/C24H30O2/c1-3-23(15-25-16-23)13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)14-24(4-2)17-26-18-24/h5-12H,3-4,13-18H2,1-2H3
InChIKeyWOXVPDRHBGJSQW-UHFFFAOYSA-N
MW350.50 g/mol
LogP5.29
Rot. Bonds7

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

3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane (PubChem CID 130476683) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane
PubChem CID130476683
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane
SMILESCCC1(Cc2ccc(-c3ccc(CC4(CC)COC4)cc3)cc2)COC1
InChIInChI=1S/C24H30O2/c1-3-23(15-25-16-23)13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)14-24(4-2)17-26-18-24/h5-12H,3-4,13-18H2,1-2H3
InChIKeyWOXVPDRHBGJSQW-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
CID 139997866
[3-[(4-methylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930448
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]-2-methylphenyl]methyl]oxetane
CID 173300332
3-ethyl-3-[4-[4-(3-ethyloxetan-3-yl)phenyl]phenyl]oxetane
CID 101228583
[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol
CID 147383497
[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116930338
[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 126624960
1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
CID 177366881
N-[4-[4-(N-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-propylphenyl)aniline
CID 143613681
1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
CID 153389368
3-(chloromethyl)-3-[(4-ethylphenyl)methyl]oxane
CID 66033688

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane (CID 130476683) is 3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane is CCC1(Cc2ccc(-c3ccc(CC4(CC)COC4)cc3)cc2)COC1.
What is the InChIKey of 3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane?
The InChIKey is WOXVPDRHBGJSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-3-23(15-25-16-23)13-19-5-9-21(10-6-19)22-11-7-20(8-12-22)14-24(4-2)17-26-18-24/h5-12H,3-4,13-18H2,1-2H3.
What are the key properties of 3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane?
3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane has a molecular weight of 350.50 g/mol, XLogP of 5.29, 7 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)methyl]phenyl]phenyl]methyl]oxetane is sourced from PubChem (CID 130476683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).