4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane

C12H15BrO4 — CID 19762930

IUPAC4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane
SMILESCOc1ccccc1OCC1OCC(CBr)O1
InChIInChI=1S/C12H15BrO4/c1-14-10-4-2-3-5-11(10)15-8-12-16-7-9(6-13)17-12/h2-5,9,12H,6-8H2,1H3
InChIKeyXBLUSVUABUQSFO-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.21
Rot. Bonds5

About 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane

4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane (PubChem CID 19762930) has the molecular formula C12H15BrO4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane
PubChem CID19762930
Molecular FormulaC12H15BrO4
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane
SMILESCOc1ccccc1OCC1OCC(CBr)O1
InChIInChI=1S/C12H15BrO4/c1-14-10-4-2-3-5-11(10)15-8-12-16-7-9(6-13)17-12/h2-5,9,12H,6-8H2,1H3
InChIKeyXBLUSVUABUQSFO-UHFFFAOYSA-N
XLogP2.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-1,3-dioxole
CID 141236691
2-(bromomethyl)-5-[(2-methoxyphenoxy)methyl]-1,3-oxathiolane
CID 19762934
2-(bromomethyl)oxirane;1-(1,3-dibromopropan-2-yloxy)-2-methylbenzene
CID 87237783
3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole
CID 102548676
2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline
CID 23338370
[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094665
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
tert-butyl carbamate;2-[(2-methoxyphenoxy)methyl]oxirane;molecular hydrogen
CID 157082570
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62458867
2-(2-methoxyphenoxy)-N-(oxiran-2-ylmethyl)acetamide
CID 102548369
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane
CID 89175993

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane?
The IUPAC name of 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane (CID 19762930) is 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane.
What is the SMILES notation for 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane?
The canonical SMILES for 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane is COc1ccccc1OCC1OCC(CBr)O1.
What is the InChIKey of 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane?
The InChIKey is XBLUSVUABUQSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO4/c1-14-10-4-2-3-5-11(10)15-8-12-16-7-9(6-13)17-12/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane?
4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane has a molecular weight of 303.15 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane is sourced from PubChem (CID 19762930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).