[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate

C19H17BrO3 — CID 7825755

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H17BrO3/c20-17-8-4-13(5-9-17)10-19(22)23-12-18(21)16-7-6-14-2-1-3-15(14)11-16/h4-9,11H,1-3,10,12H2
InChIKeyRKWXUKNLGYWQNM-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.91
Rot. Bonds5

About [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 7825755) has the molecular formula C19H17BrO3 and a molecular weight of 373.25 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID7825755
Molecular FormulaC19H17BrO3
Molecular Weight373.25 g/mol
Exact Mass372.04
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H17BrO3/c20-17-8-4-13(5-9-17)10-19(22)23-12-18(21)16-7-6-14-2-1-3-15(14)11-16/h4-9,11H,1-3,10,12H2
InChIKeyRKWXUKNLGYWQNM-UHFFFAOYSA-N
XLogP3.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535682
[2-(4-bromophenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596393
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8608526
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8506376
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 5-bromo-2-hydroxybenzoate
CID 7786303
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-(methylsulfonylmethyl)benzoate
CID 7752869
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695233
2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 82810406
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7587823
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 7478089
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169259
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7238776

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 7825755) is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate is O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is RKWXUKNLGYWQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO3/c20-17-8-4-13(5-9-17)10-19(22)23-12-18(21)16-7-6-14-2-1-3-15(14)11-16/h4-9,11H,1-3,10,12H2.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 373.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 7825755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).