methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate

C18H17BrO4 — CID 67792021

IUPACmethyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate
SMILESCOC(=O)C(Oc1ccc(Br)c(C)c1C(C)=O)c1ccccc1
InChIInChI=1S/C18H17BrO4/c1-11-14(19)9-10-15(16(11)12(2)20)23-17(18(21)22-3)13-7-5-4-6-8-13/h4-10,17H,1-3H3
InChIKeyUFCRWOBBAHOIPU-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.25
Rot. Bonds5

About methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate

methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate (PubChem CID 67792021) has the molecular formula C18H17BrO4 and a molecular weight of 377.23 g/mol. Its IUPAC name is methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate
PubChem CID67792021
Molecular FormulaC18H17BrO4
Molecular Weight377.23 g/mol
Exact Mass376.03
IUPAC Namemethyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate
SMILESCOC(=O)C(Oc1ccc(Br)c(C)c1C(C)=O)c1ccccc1
InChIInChI=1S/C18H17BrO4/c1-11-14(19)9-10-15(16(11)12(2)20)23-17(18(21)22-3)13-7-5-4-6-8-13/h4-10,17H,1-3H3
InChIKeyUFCRWOBBAHOIPU-UHFFFAOYSA-N
XLogP4.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-acetyl-4-(bromomethyl)phenoxy]-2-phenylacetate
CID 19385678
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
methyl 2-(2-formylphenoxy)-2-phenylacetate
CID 87797080
methyl 2-phenyl-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetate
CID 2939978
2-(4-bromo-2-methylphenoxy)-2-phenylacetohydrazide
CID 63570205
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
methyl 2-(2-bromoacetyl)oxy-2-phenylacetate
CID 87076248
(2-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935
2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
CID 43822990
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate?
The IUPAC name of methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate (CID 67792021) is methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate?
The canonical SMILES for methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate is COC(=O)C(Oc1ccc(Br)c(C)c1C(C)=O)c1ccccc1.
What is the InChIKey of methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate?
The InChIKey is UFCRWOBBAHOIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO4/c1-11-14(19)9-10-15(16(11)12(2)20)23-17(18(21)22-3)13-7-5-4-6-8-13/h4-10,17H,1-3H3.
What are the key properties of methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate?
methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate has a molecular weight of 377.23 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate is sourced from PubChem (CID 67792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).