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

C15H13BrO2 — CID 12541850

IUPAC2-bromo-1-(2-phenylmethoxyphenyl)ethanone
SMILESO=C(CBr)c1ccccc1OCc1ccccc1
InChIInChI=1S/C15H13BrO2/c16-10-14(17)13-8-4-5-9-15(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyMHSHMGJHXSPXDH-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.84
Rot. Bonds5

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

2-bromo-1-(2-phenylmethoxyphenyl)ethanone (PubChem CID 12541850) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-bromo-1-(2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-phenylmethoxyphenyl)ethanone
PubChem CID12541850
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name2-bromo-1-(2-phenylmethoxyphenyl)ethanone
SMILESO=C(CBr)c1ccccc1OCc1ccccc1
InChIInChI=1S/C15H13BrO2/c16-10-14(17)13-8-4-5-9-15(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyMHSHMGJHXSPXDH-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.84
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-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
2-bromo-1-(2-fluoro-3-phenylmethoxyphenyl)ethanone;1-(2-fluoro-3-phenylmethoxyphenyl)ethanone
CID 157334885
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
2-phenylmethoxybenzoyl chloride
CID 10999355
2-bromo-1-(4-butoxy-2-phenylmethoxyphenyl)ethanone
CID 139559458
2-bromo-1-[2-methyl-3,4-bis(phenylmethoxy)phenyl]ethanone
CID 87906872
2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone
CID 99769831
2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione
CID 129076171
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
phenacyl 2-phenylmethoxybenzoate
CID 2565163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-phenylmethoxyphenyl)ethanone (CID 12541850) is 2-bromo-1-(2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-phenylmethoxyphenyl)ethanone is O=C(CBr)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-bromo-1-(2-phenylmethoxyphenyl)ethanone?
The InChIKey is MHSHMGJHXSPXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c16-10-14(17)13-8-4-5-9-15(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-bromo-1-(2-phenylmethoxyphenyl)ethanone?
2-bromo-1-(2-phenylmethoxyphenyl)ethanone has a molecular weight of 305.17 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 12541850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).