[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate

C16H13BrO3 — CID 67347861

IUPAC[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H13BrO3/c1-11(18)20-16(12-7-3-2-4-8-12)15(19)13-9-5-6-10-14(13)17/h2-10,16H,1H3
InChIKeyCUHLAESGVJXJQF-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.94
Rot. Bonds4

About [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate

[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate (PubChem CID 67347861) has the molecular formula C16H13BrO3 and a molecular weight of 333.18 g/mol. Its IUPAC name is [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate
PubChem CID67347861
Molecular FormulaC16H13BrO3
Molecular Weight333.18 g/mol
Exact Mass332.00
IUPAC Name[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H13BrO3/c1-11(18)20-16(12-7-3-2-4-8-12)15(19)13-9-5-6-10-14(13)17/h2-10,16H,1H3
InChIKeyCUHLAESGVJXJQF-UHFFFAOYSA-N
XLogP3.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate
CID 11266944
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193
3-(2-bromophenyl)-3-oxo-2-phenylpropanal
CID 52912679
1-(2-bromophenyl)-2,2-dihydroxyethanone
CID 14046171
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
(2-methylidene-1-phenylbut-3-enyl) acetate
CID 10774469
(2-oxo-1,2-diphenylethyl) 2,5-dibromobenzoate
CID 4126721
(2-fluorophenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577967
methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
(2-ethylsulfanyl-2-oxo-1-phenylethyl) acetate
CID 12812078

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate (CID 67347861) is [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)c1ccccc1Br)c1ccccc1.
What is the InChIKey of [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate?
The InChIKey is CUHLAESGVJXJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO3/c1-11(18)20-16(12-7-3-2-4-8-12)15(19)13-9-5-6-10-14(13)17/h2-10,16H,1H3.
What are the key properties of [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate?
[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate has a molecular weight of 333.18 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 67347861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).