1-(2-bromo-4-phenylmethoxyphenyl)ethanone

C15H13BrO2 — CID 70433955

IUPAC1-(2-bromo-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2)cc1Br
InChIInChI=1S/C15H13BrO2/c1-11(17)14-8-7-13(9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyIHIKLBBZQHRUMM-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.23
Rot. Bonds4

About 1-(2-bromo-4-phenylmethoxyphenyl)ethanone

1-(2-bromo-4-phenylmethoxyphenyl)ethanone (PubChem CID 70433955) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-(2-bromo-4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-phenylmethoxyphenyl)ethanone
PubChem CID70433955
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name1-(2-bromo-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2)cc1Br
InChIInChI=1S/C15H13BrO2/c1-11(17)14-8-7-13(9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyIHIKLBBZQHRUMM-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(4-acetyl-3-bromophenoxy)methyl]phenyl]acetic acid
CID 91863540
1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 91863532
1-[2-bromo-4-[(3-iodophenyl)methoxy]phenyl]ethanone
CID 91863535
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
2-[(4-acetyl-3-bromophenoxy)methyl]benzonitrile
CID 91863521
1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863489
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
ethane;4-phenylmethoxyphthalic acid
CID 90802135
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
CID 91863632

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-phenylmethoxyphenyl)ethanone (CID 70433955) is 1-(2-bromo-4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-phenylmethoxyphenyl)ethanone is CC(=O)c1ccc(OCc2ccccc2)cc1Br.
What is the InChIKey of 1-(2-bromo-4-phenylmethoxyphenyl)ethanone?
The InChIKey is IHIKLBBZQHRUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-11(17)14-8-7-13(9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-(2-bromo-4-phenylmethoxyphenyl)ethanone?
1-(2-bromo-4-phenylmethoxyphenyl)ethanone has a molecular weight of 305.17 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 70433955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).