2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone

C15H12Br2O2 — CID 87515751

IUPAC2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
SMILESO=C(c1ccccc1OCc1ccccc1)C(Br)Br
InChIInChI=1S/C15H12Br2O2/c16-15(17)14(18)12-8-4-5-9-13(12)19-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyLROLNDGTEHUANM-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.56
Rot. Bonds5

About 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone

2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone (PubChem CID 87515751) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
PubChem CID87515751
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
SMILESO=C(c1ccccc1OCc1ccccc1)C(Br)Br
InChIInChI=1S/C15H12Br2O2/c16-15(17)14(18)12-8-4-5-9-13(12)19-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyLROLNDGTEHUANM-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2-phenylmethoxybenzoyl chloride
CID 10999355
butan-2-yl 2-phenylmethoxybenzoate
CID 82186245
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
(2R)-1-[3,4-bis(phenylmethoxy)phenyl]-2-bromobutan-1-one
CID 93481400
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone (CID 87515751) is 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone is O=C(c1ccccc1OCc1ccccc1)C(Br)Br.
What is the InChIKey of 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone?
The InChIKey is LROLNDGTEHUANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c16-15(17)14(18)12-8-4-5-9-13(12)19-10-11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone?
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone has a molecular weight of 384.07 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 87515751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).