1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone

C22H18O3 — CID 102402149

IUPAC1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O3/c1-16(23)18-7-11-20(12-8-18)25-21-13-9-19(10-14-21)22(24)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyFBMASIGLVFFKTQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.11
Rot. Bonds6

About 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone

1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone (PubChem CID 102402149) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
PubChem CID102402149
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O3/c1-16(23)18-7-11-20(12-8-18)25-21-13-9-19(10-14-21)22(24)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyFBMASIGLVFFKTQ-UHFFFAOYSA-N
XLogP5.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
4-(4-acetylphenoxy)benzoic acid
CID 60723234
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
CID 149305974
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
CID 58187299
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1,2-diphenylethanone;diphenylmethanone
CID 141067729
benzyl 2-(4-acetylphenyl)acetate
CID 121231799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone?
The IUPAC name of 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone (CID 102402149) is 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone is CC(=O)c1ccc(Oc2ccc(C(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone?
The InChIKey is FBMASIGLVFFKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-16(23)18-7-11-20(12-8-18)25-21-13-9-19(10-14-21)22(24)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone?
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone has a molecular weight of 330.38 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone is sourced from PubChem (CID 102402149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).