[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate

C18H17BrO5 — CID 7970559

IUPAC[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C18H17BrO5/c1-12(18(21)13-6-8-15(22-2)9-7-13)24-17(20)11-23-16-5-3-4-14(19)10-16/h3-10,12H,11H2,1-2H3/t12-/m1/s1
InChIKeyGNPNBTHMKPCSIP-GFCCVEGCSA-N
MW393.23 g/mol
LogP3.65
Rot. Bonds7

About [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate (PubChem CID 7970559) has the molecular formula C18H17BrO5 and a molecular weight of 393.23 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
PubChem CID7970559
Molecular FormulaC18H17BrO5
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C18H17BrO5/c1-12(18(21)13-6-8-15(22-2)9-7-13)24-17(20)11-23-16-5-3-4-14(19)10-16/h3-10,12H,11H2,1-2H3/t12-/m1/s1
InChIKeyGNPNBTHMKPCSIP-GFCCVEGCSA-N
XLogP3.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855511
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 46644579
(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
CID 7581544
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839402
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 46619358
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate (CID 7970559) is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate is COc1ccc(C(=O)[C@@H](C)OC(=O)COc2cccc(Br)c2)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate?
The InChIKey is GNPNBTHMKPCSIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17BrO5/c1-12(18(21)13-6-8-15(22-2)9-7-13)24-17(20)11-23-16-5-3-4-14(19)10-16/h3-10,12H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate?
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate has a molecular weight of 393.23 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 7970559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).