2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one

C16H15BrO2 — CID 82826900

IUPAC2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
SMILESCC(OCc1ccc(Br)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H15BrO2/c1-12(16(18)14-5-3-2-4-6-14)19-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3
InChIKeyZAVRCLLNLUKZEL-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.24
Rot. Bonds5

About 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one

2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one (PubChem CID 82826900) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
PubChem CID82826900
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
SMILESCC(OCc1ccc(Br)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H15BrO2/c1-12(16(18)14-5-3-2-4-6-14)19-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3
InChIKeyZAVRCLLNLUKZEL-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one
CID 82826755
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
1-(4-bromophenyl)-2-[(2-fluorophenyl)methoxy]propan-1-one
CID 63937365
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
2-(2-bromoethoxy)-1-phenylpropan-1-one
CID 54435812
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770
1-phenyl-2-propoxypropan-1-one
CID 43801137
(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one
CID 62030222
4-(4-bromophenyl)-2-methyl-1-phenylbutane-1,4-dione
CID 173018498

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one (CID 82826900) is 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one is CC(OCc1ccc(Br)cc1)C(=O)c1ccccc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one?
The InChIKey is ZAVRCLLNLUKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-12(16(18)14-5-3-2-4-6-14)19-11-13-7-9-15(17)10-8-13/h2-10,12H,11H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one?
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one has a molecular weight of 319.20 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one is sourced from PubChem (CID 82826900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).