3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane

C24H32O3 — CID 59687541

IUPAC3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane
SMILESCCC1(COc2ccc(C(C)(C)c3ccc(OC(C)C)cc3)cc2)COC1
InChIInChI=1S/C24H32O3/c1-6-24(15-25-16-24)17-26-21-11-7-19(8-12-21)23(4,5)20-9-13-22(14-10-20)27-18(2)3/h7-14,18H,6,15-17H2,1-5H3
InChIKeyUXNFJMZYDZEALB-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.61
Rot. Bonds8

About 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane

3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane (PubChem CID 59687541) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane
PubChem CID59687541
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane
SMILESCCC1(COc2ccc(C(C)(C)c3ccc(OC(C)C)cc3)cc2)COC1
InChIInChI=1S/C24H32O3/c1-6-24(15-25-16-24)17-26-21-11-7-19(8-12-21)23(4,5)20-9-13-22(14-10-20)27-18(2)3/h7-14,18H,6,15-17H2,1-5H3
InChIKeyUXNFJMZYDZEALB-UHFFFAOYSA-N
XLogP5.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane with MolForge

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Related Compounds

3-[[4-[1,1-bis[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-ethyloxetane
CID 59386218
3-[[4-tert-butyl-2-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
CID 139899126
1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
CID 70794455
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-phenylmethanone
CID 90438012
[4-[(3-ethyloxetan-3-yl)methoxy]phenyl] 2-methylprop-2-enoate
CID 58862986
3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 59767606
4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol
CID 59711338
3-[[4-[1,1-bis[4-[(3-methyloxetan-3-yl)methoxy]phenyl]ethyl]phenoxy]methyl]-3-methyloxetane
CID 101196540
3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
CID 146616027
3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
CID 70976864
3-ethyl-3-[1-[4-[4-[1-[(3-ethyloxetan-3-yl)methoxy]ethyl]phenoxy]phenyl]ethoxymethyl]oxetane
CID 69021792

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane (CID 59687541) is 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane is CCC1(COc2ccc(C(C)(C)c3ccc(OC(C)C)cc3)cc2)COC1.
What is the InChIKey of 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane?
The InChIKey is UXNFJMZYDZEALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-6-24(15-25-16-24)17-26-21-11-7-19(8-12-21)23(4,5)20-9-13-22(14-10-20)27-18(2)3/h7-14,18H,6,15-17H2,1-5H3.
What are the key properties of 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane?
3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane has a molecular weight of 368.52 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenoxy]methyl]oxetane is sourced from PubChem (CID 59687541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).