3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one

C20H26O4 — CID 150703586

IUPAC3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one
SMILESCCC1(COc2cccc(OCC3(CC)CC(=O)C3)c2)CC(=O)C1
InChIInChI=1S/C20H26O4/c1-3-19(9-15(21)10-19)13-23-17-6-5-7-18(8-17)24-14-20(4-2)11-16(22)12-20/h5-8H,3-4,9-14H2,1-2H3
InChIKeyJMJVMVFWSUPRCN-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.96
Rot. Bonds8

About 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one

3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one (PubChem CID 150703586) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one.

Molecular Properties

Compound Name3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one
PubChem CID150703586
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one
SMILESCCC1(COc2cccc(OCC3(CC)CC(=O)C3)c2)CC(=O)C1
InChIInChI=1S/C20H26O4/c1-3-19(9-15(21)10-19)13-23-17-6-5-7-18(8-17)24-14-20(4-2)11-16(22)12-20/h5-8H,3-4,9-14H2,1-2H3
InChIKeyJMJVMVFWSUPRCN-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one 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

3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
CID 70976864
3-[(3-bromophenoxy)methyl]-3-ethyloxetane
CID 84712954
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
2-methyl-2-[[3-[(2-methyloxiran-2-yl)methoxy]phenoxy]methyl]oxirane
CID 20706940
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
1-(bromomethyl)-1-[(3-methoxyphenoxy)methyl]cycloheptane
CID 65009956
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
3-[[1-(methylsulfonylmethyl)cyclopropyl]methoxy]benzoic acid
CID 167833495
1,3-dihexadecoxybenzene
CID 12686834
3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
CID 146616027
1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene
CID 141322110

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one?
The IUPAC name of 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one (CID 150703586) is 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one.
What is the SMILES notation for 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one?
The canonical SMILES for 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one is CCC1(COc2cccc(OCC3(CC)CC(=O)C3)c2)CC(=O)C1.
What is the InChIKey of 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one?
The InChIKey is JMJVMVFWSUPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-3-19(9-15(21)10-19)13-23-17-6-5-7-18(8-17)24-14-20(4-2)11-16(22)12-20/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one?
3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one has a molecular weight of 330.42 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one is sourced from PubChem (CID 150703586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).