1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone

C22H18O3 — CID 19904553

IUPAC1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccccc2-c2ccccc2)c1C(C)=O
InChIInChI=1S/C22H18O3/c1-15(23)18-12-8-14-21(22(18)16(2)24)25-20-13-7-6-11-19(20)17-9-4-3-5-10-17/h3-14H,1-2H3
InChIKeyRPQYHWBODYXKFF-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.55
Rot. Bonds5

About 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone

1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone (PubChem CID 19904553) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone
PubChem CID19904553
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccccc2-c2ccccc2)c1C(C)=O
InChIInChI=1S/C22H18O3/c1-15(23)18-12-8-14-21(22(18)16(2)24)25-20-13-7-6-11-19(20)17-9-4-3-5-10-17/h3-14H,1-2H3
InChIKeyRPQYHWBODYXKFF-UHFFFAOYSA-N
XLogP5.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-phenyl-2-propan-2-ylphenyl)ethanone
CID 139652419
1-phenyl-2-[2-[2-(2-phenylphenyl)phenoxy]phenyl]benzene
CID 67263079
1-(2-nitro-3-phenylphenyl)ethanone
CID 67871724
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-phenylbenzoic acid
CID 14880647
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
1-(2,3-diacetylphenyl)-2-phenylethane-1,2-dione
CID 54447040
(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
CID 139613270
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
(2-chloro-3-phenylphenyl) acetate
CID 54501671
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone (CID 19904553) is 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone is CC(=O)c1cccc(Oc2ccccc2-c2ccccc2)c1C(C)=O.
What is the InChIKey of 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone?
The InChIKey is RPQYHWBODYXKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-15(23)18-12-8-14-21(22(18)16(2)24)25-20-13-7-6-11-19(20)17-9-4-3-5-10-17/h3-14H,1-2H3.
What are the key properties of 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone?
1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone has a molecular weight of 330.38 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-3-(2-phenylphenoxy)phenyl]ethanone is sourced from PubChem (CID 19904553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).