3-[(3-bromophenoxy)methyl]-3-ethyloxetane

C12H15BrO2 — CID 84712954

IUPAC3-[(3-bromophenoxy)methyl]-3-ethyloxetane
SMILESCCC1(COc2cccc(Br)c2)COC1
InChIInChI=1S/C12H15BrO2/c1-2-12(7-14-8-12)9-15-11-5-3-4-10(13)6-11/h3-6H,2,7-9H2,1H3
InChIKeyRRLXYPBWEPMXAK-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.25
Rot. Bonds4

About 3-[(3-bromophenoxy)methyl]-3-ethyloxetane

3-[(3-bromophenoxy)methyl]-3-ethyloxetane (PubChem CID 84712954) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 3-[(3-bromophenoxy)methyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[(3-bromophenoxy)methyl]-3-ethyloxetane
PubChem CID84712954
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name3-[(3-bromophenoxy)methyl]-3-ethyloxetane
SMILESCCC1(COc2cccc(Br)c2)COC1
InChIInChI=1S/C12H15BrO2/c1-2-12(7-14-8-12)9-15-11-5-3-4-10(13)6-11/h3-6H,2,7-9H2,1H3
InChIKeyRRLXYPBWEPMXAK-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
CID 146616027
3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
CID 70976864
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
3-ethyl-3-[[7-[(3-ethyloxetan-3-yl)methoxy]naphthalen-2-yl]oxymethyl]oxetane;3-[[7-(oxetan-3-ylmethoxy)naphthalen-2-yl]oxymethyl]oxetane
CID 158020153
1-bromo-3-ethoxybenzene;ethane
CID 143900364
2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114099923
3-ethyl-3-[[3-[(1-ethyl-3-oxocyclobutyl)methoxy]phenoxy]methyl]cyclobutan-1-one
CID 150703586
1-[(3-bromophenoxy)methyl]-2-methylcyclopropan-1-amine
CID 84708804
3-ethyl-3-[(2,3,4,5-tetrabromophenoxy)methyl]oxetane
CID 57045238
3-[2-(3-bromophenoxy)ethyl]-3-(chloromethyl)oxolane
CID 66033229
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715280
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718677

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenoxy)methyl]-3-ethyloxetane?
The IUPAC name of 3-[(3-bromophenoxy)methyl]-3-ethyloxetane (CID 84712954) is 3-[(3-bromophenoxy)methyl]-3-ethyloxetane.
What is the SMILES notation for 3-[(3-bromophenoxy)methyl]-3-ethyloxetane?
The canonical SMILES for 3-[(3-bromophenoxy)methyl]-3-ethyloxetane is CCC1(COc2cccc(Br)c2)COC1.
What is the InChIKey of 3-[(3-bromophenoxy)methyl]-3-ethyloxetane?
The InChIKey is RRLXYPBWEPMXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-2-12(7-14-8-12)9-15-11-5-3-4-10(13)6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 3-[(3-bromophenoxy)methyl]-3-ethyloxetane?
3-[(3-bromophenoxy)methyl]-3-ethyloxetane has a molecular weight of 271.15 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenoxy)methyl]-3-ethyloxetane is sourced from PubChem (CID 84712954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).