2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone

C15H12Br2O2 — CID 139225242

IUPAC2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone
SMILESO=C(CBr)c1cc(Br)cc(OCc2ccccc2)c1
InChIInChI=1S/C15H12Br2O2/c16-9-15(18)12-6-13(17)8-14(7-12)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyVJDCRDWSVQZLEM-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.61
Rot. Bonds5

About 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone

2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone (PubChem CID 139225242) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone
PubChem CID139225242
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone
SMILESO=C(CBr)c1cc(Br)cc(OCc2ccccc2)c1
InChIInChI=1S/C15H12Br2O2/c16-9-15(18)12-6-13(17)8-14(7-12)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyVJDCRDWSVQZLEM-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
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-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
3-bromo-5-[(3-methoxyphenyl)methoxy]benzoic acid
CID 102823525
3,5-bis(phenylmethoxy)benzoate
CID 6986896
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150
4-(2-bromoacetyl)-2-(dimethylsulfamoylamino)-1-phenylmethoxybenzene
CID 18615102
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene
CID 162421142
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone (CID 139225242) is 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone is O=C(CBr)c1cc(Br)cc(OCc2ccccc2)c1.
What is the InChIKey of 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone?
The InChIKey is VJDCRDWSVQZLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c16-9-15(18)12-6-13(17)8-14(7-12)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone?
2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone has a molecular weight of 384.07 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-5-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 139225242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).