2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone

C20H15BrO2 — CID 14256935

IUPAC2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15BrO2/c21-17-10-6-15(7-11-17)14-20(22)16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyCRRBUVPSSAPIKZ-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.67
Rot. Bonds5

About 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone

2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone (PubChem CID 14256935) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
PubChem CID14256935
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15BrO2/c21-17-10-6-15(7-11-17)14-20(22)16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyCRRBUVPSSAPIKZ-UHFFFAOYSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone
CID 68953241
2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 59341202
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
4-phenoxybenzoyl bromide
CID 116924551
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
CID 149305974
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
[2-(4-bromophenyl)-2-oxoethyl] 3-phenoxybenzoate
CID 7701050

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone (CID 14256935) is 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone is O=C(Cc1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone?
The InChIKey is CRRBUVPSSAPIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c21-17-10-6-15(7-11-17)14-20(22)16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13H,14H2.
What are the key properties of 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone?
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone has a molecular weight of 367.24 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone is sourced from PubChem (CID 14256935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).