2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone

C22H20O3 — CID 3723572

IUPAC2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20O3/c1-24-22-10-6-5-9-19(22)15-21(23)18-11-13-20(14-12-18)25-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeySCBWUTFAUYQBAO-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.70
Rot. Bonds7

About 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone

2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone (PubChem CID 3723572) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
PubChem CID3723572
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20O3/c1-24-22-10-6-5-9-19(22)15-21(23)18-11-13-20(14-12-18)25-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeySCBWUTFAUYQBAO-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone (CID 3723572) is 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone is COc1ccccc1CC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone?
The InChIKey is SCBWUTFAUYQBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-24-22-10-6-5-9-19(22)15-21(23)18-11-13-20(14-12-18)25-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone?
2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone has a molecular weight of 332.40 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 3723572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).