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

C22H20O2 — CID 158282990

IUPAC2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O2/c1-2-17-8-10-18(11-9-17)16-22(23)19-12-14-21(15-13-19)24-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3
InChIKeyGKKWKQULYXYJRH-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.47
Rot. Bonds6

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

2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone (PubChem CID 158282990) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
PubChem CID158282990
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O2/c1-2-17-8-10-18(11-9-17)16-22(23)19-12-14-21(15-13-19)24-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3
InChIKeyGKKWKQULYXYJRH-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
CID 149305974
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
N-methyl-2-(4-phenoxyphenyl)acetamide
CID 20806825
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone (CID 158282990) is 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone?
The InChIKey is GKKWKQULYXYJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-2-17-8-10-18(11-9-17)16-22(23)19-12-14-21(15-13-19)24-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone?
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone is sourced from PubChem (CID 158282990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).