[(1S)-1-(2-bromophenyl)ethyl] acetate

C10H11BrO2 — CID 130609094

IUPAC[(1S)-1-(2-bromophenyl)ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1ccccc1Br
InChIInChI=1S/C10H11BrO2/c1-7(13-8(2)12)9-5-3-4-6-10(9)11/h3-7H,1-2H3/t7-/m0/s1
InChIKeyLFXSBRTUPRKXKG-ZETCQYMHSA-N
MW243.10 g/mol
LogP3.07
Rot. Bonds2

About [(1S)-1-(2-bromophenyl)ethyl] acetate

[(1S)-1-(2-bromophenyl)ethyl] acetate (PubChem CID 130609094) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is [(1S)-1-(2-bromophenyl)ethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-(2-bromophenyl)ethyl] acetate
PubChem CID130609094
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name[(1S)-1-(2-bromophenyl)ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1ccccc1Br
InChIInChI=1S/C10H11BrO2/c1-7(13-8(2)12)9-5-3-4-6-10(9)11/h3-7H,1-2H3/t7-/m0/s1
InChIKeyLFXSBRTUPRKXKG-ZETCQYMHSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(1S)-1-(2-bromophenyl)ethyl] (2S)-2-methoxy-2-phenylacetate
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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-bromophenyl)ethyl] acetate?
The IUPAC name of [(1S)-1-(2-bromophenyl)ethyl] acetate (CID 130609094) is [(1S)-1-(2-bromophenyl)ethyl] acetate.
What is the SMILES notation for [(1S)-1-(2-bromophenyl)ethyl] acetate?
The canonical SMILES for [(1S)-1-(2-bromophenyl)ethyl] acetate is CC(=O)O[C@@H](C)c1ccccc1Br.
What is the InChIKey of [(1S)-1-(2-bromophenyl)ethyl] acetate?
The InChIKey is LFXSBRTUPRKXKG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7(13-8(2)12)9-5-3-4-6-10(9)11/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of [(1S)-1-(2-bromophenyl)ethyl] acetate?
[(1S)-1-(2-bromophenyl)ethyl] acetate has a molecular weight of 243.10 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-bromophenyl)ethyl] acetate is sourced from PubChem (CID 130609094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).