2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane

C12H15BrO3 — CID 104705218

IUPAC2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
SMILESCOc1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C12H15BrO3/c1-14-9-4-5-12(11(13)7-9)16-8-10-3-2-6-15-10/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyZRVPYZBIDGLARZ-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.02
Rot. Bonds4

About 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane

2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane (PubChem CID 104705218) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane.

Molecular Properties

Compound Name2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
PubChem CID104705218
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
SMILESCOc1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C12H15BrO3/c1-14-9-4-5-12(11(13)7-9)16-8-10-3-2-6-15-10/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyZRVPYZBIDGLARZ-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 104706417
4-[(2-bromo-4-methoxyphenoxy)methyl]oxane
CID 104704638
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
4-methoxy-2-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 81303078
3-bromo-N-[4-[4-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]phenoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17131851
2-[[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]methyl]oxane
CID 104706796
3-bromo-N-tert-butyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 41280671
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane?
The IUPAC name of 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane (CID 104705218) is 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane.
What is the SMILES notation for 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane?
The canonical SMILES for 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane is COc1ccc(OCC2CCCO2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane?
The InChIKey is ZRVPYZBIDGLARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-14-9-4-5-12(11(13)7-9)16-8-10-3-2-6-15-10/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane?
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane has a molecular weight of 287.15 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane is sourced from PubChem (CID 104705218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).