2-(3-bromophenyl)acetate

C8H6BrO2- — CID 3608673

IUPAC2-(3-bromophenyl)acetate
SMILESO=C([O-])Cc1cccc(Br)c1
InChIInChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1
InChIKeyKYNNBXCGXUOREX-UHFFFAOYSA-M
MW214.04 g/mol
LogP0.74
Rot. Bonds2

About 2-(3-bromophenyl)acetate

2-(3-bromophenyl)acetate (PubChem CID 3608673) has the molecular formula C8H6BrO2- and a molecular weight of 214.04 g/mol. Its IUPAC name is 2-(3-bromophenyl)acetate.

Molecular Properties

Compound Name2-(3-bromophenyl)acetate
PubChem CID3608673
Molecular FormulaC8H6BrO2-
Molecular Weight214.04 g/mol
Exact Mass212.96
IUPAC Name2-(3-bromophenyl)acetate
SMILESO=C([O-])Cc1cccc(Br)c1
InChIInChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1
InChIKeyKYNNBXCGXUOREX-UHFFFAOYSA-M
XLogP0.74
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
2-(3-bromophenyl)acetamide
CID 11736027
2-(3-bromophenyl)acetate;[(1R)-1-phenylethyl]azanium
CID 139147193
bromo 2-(3-bromophenyl)acetate
CID 174910278
iodo 2-(3-bromophenyl)acetate
CID 155449676
(Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one
CID 103447328
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
CID 63941449
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
1-(3-bromophenyl)-6,6,6-trifluorohexan-2-one
CID 115515773
azanium 2-(3-methylphenyl)acetate
CID 141323779
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114008475

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)acetate?
The IUPAC name of 2-(3-bromophenyl)acetate (CID 3608673) is 2-(3-bromophenyl)acetate.
What is the SMILES notation for 2-(3-bromophenyl)acetate?
The canonical SMILES for 2-(3-bromophenyl)acetate is O=C([O-])Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)acetate?
The InChIKey is KYNNBXCGXUOREX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1.
What are the key properties of 2-(3-bromophenyl)acetate?
2-(3-bromophenyl)acetate has a molecular weight of 214.04 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)acetate is sourced from PubChem (CID 3608673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).