3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane

C18H25BrO4 — CID 146616027

IUPAC3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
SMILESCCC1(COc2cc(Br)cc(OCC3(CC)COC3)c2)COC1
InChIInChI=1S/C18H25BrO4/c1-3-17(8-20-9-17)12-22-15-5-14(19)6-16(7-15)23-13-18(4-2)10-21-11-18/h5-7H,3-4,8-13H2,1-2H3
InChIKeyHUOYPHQFVPMUEC-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.06
Rot. Bonds8

About 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane

3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane (PubChem CID 146616027) has the molecular formula C18H25BrO4 and a molecular weight of 385.30 g/mol. Its IUPAC name is 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
PubChem CID146616027
Molecular FormulaC18H25BrO4
Molecular Weight385.30 g/mol
Exact Mass384.09
IUPAC Name3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane
SMILESCCC1(COc2cc(Br)cc(OCC3(CC)COC3)c2)COC1
InChIInChI=1S/C18H25BrO4/c1-3-17(8-20-9-17)12-22-15-5-14(19)6-16(7-15)23-13-18(4-2)10-21-11-18/h5-7H,3-4,8-13H2,1-2H3
InChIKeyHUOYPHQFVPMUEC-UHFFFAOYSA-N
XLogP4.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane?
The IUPAC name of 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane (CID 146616027) is 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane.
What is the SMILES notation for 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane?
The canonical SMILES for 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane is CCC1(COc2cc(Br)cc(OCC3(CC)COC3)c2)COC1.
What is the InChIKey of 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane?
The InChIKey is HUOYPHQFVPMUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrO4/c1-3-17(8-20-9-17)12-22-15-5-14(19)6-16(7-15)23-13-18(4-2)10-21-11-18/h5-7H,3-4,8-13H2,1-2H3.
What are the key properties of 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane?
3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane has a molecular weight of 385.30 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-bromo-5-[(3-ethyloxetan-3-yl)methoxy]phenoxy]methyl]-3-ethyloxetane is sourced from PubChem (CID 146616027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).