2-bromo-2-(methoxymethoxy)-1-phenylethanone

C10H11BrO3 — CID 154306576

IUPAC2-bromo-2-(methoxymethoxy)-1-phenylethanone
SMILESCOCOC(Br)C(=O)c1ccccc1
InChIInChI=1S/C10H11BrO3/c1-13-7-14-10(11)9(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyWOWLTFNWCVYEOJ-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.21
Rot. Bonds5

About 2-bromo-2-(methoxymethoxy)-1-phenylethanone

2-bromo-2-(methoxymethoxy)-1-phenylethanone (PubChem CID 154306576) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-2-(methoxymethoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-bromo-2-(methoxymethoxy)-1-phenylethanone
PubChem CID154306576
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-bromo-2-(methoxymethoxy)-1-phenylethanone
SMILESCOCOC(Br)C(=O)c1ccccc1
InChIInChI=1S/C10H11BrO3/c1-13-7-14-10(11)9(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyWOWLTFNWCVYEOJ-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
methyl 2-bromo-3-oxo-3-phenylpropanoate
CID 71438799
2-bromo-2-(2-methylphenoxy)-1-phenylethanone
CID 21326049
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
3-bromo-2-methoxy-1-phenylpropan-1-one
CID 14063307
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
2,5-dibromo-1,6-diphenylhexane-1,6-dione
CID 2762432
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
4-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 104845056
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
(2R,3R)-2-bromo-3-methoxy-4-methyl-1-phenylpentan-1-one
CID 164683734
2-(2-bromoethoxy)-1-phenylpropan-1-one
CID 54435812

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(methoxymethoxy)-1-phenylethanone?
The IUPAC name of 2-bromo-2-(methoxymethoxy)-1-phenylethanone (CID 154306576) is 2-bromo-2-(methoxymethoxy)-1-phenylethanone.
What is the SMILES notation for 2-bromo-2-(methoxymethoxy)-1-phenylethanone?
The canonical SMILES for 2-bromo-2-(methoxymethoxy)-1-phenylethanone is COCOC(Br)C(=O)c1ccccc1.
What is the InChIKey of 2-bromo-2-(methoxymethoxy)-1-phenylethanone?
The InChIKey is WOWLTFNWCVYEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-7-14-10(11)9(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3.
What are the key properties of 2-bromo-2-(methoxymethoxy)-1-phenylethanone?
2-bromo-2-(methoxymethoxy)-1-phenylethanone has a molecular weight of 259.10 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(methoxymethoxy)-1-phenylethanone is sourced from PubChem (CID 154306576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).