2-methoxy-1,2-diphenylethanone;1-phenylethanone

C23H22O3 — CID 159117865

IUPAC2-methoxy-1,2-diphenylethanone;1-phenylethanone
SMILESCC(=O)c1ccccc1.COC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2.C8H8O/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7(9)8-5-3-2-4-6-8/h2-11,15H,1H3;2-6H,1H3
InChIKeyKFHRCJPRMXTGAF-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.15
Rot. Bonds5

About 2-methoxy-1,2-diphenylethanone;1-phenylethanone

2-methoxy-1,2-diphenylethanone;1-phenylethanone (PubChem CID 159117865) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methoxy-1,2-diphenylethanone;1-phenylethanone.

Molecular Properties

Compound Name2-methoxy-1,2-diphenylethanone;1-phenylethanone
PubChem CID159117865
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name2-methoxy-1,2-diphenylethanone;1-phenylethanone
SMILESCC(=O)c1ccccc1.COC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O2.C8H8O/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7(9)8-5-3-2-4-6-8/h2-11,15H,1H3;2-6H,1H3
InChIKeyKFHRCJPRMXTGAF-UHFFFAOYSA-N
XLogP5.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-methoxy-2-oxo-2-phenylethyl)phenyl] 2-methylprop-2-enoate
CID 100944604
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
CID 22025249
CID 22025249
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
CID 173404741
CID 173404741
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
CID 59883683
CID 59883683
2-methyl-1-phenylpropan-1-one;1-phenylethanone
CID 162124258
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
2-methoxy-2-(2-methylphenyl)-1-phenylethanone
CID 71321553
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
iron;1-phenylethanone
CID 70488357

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,2-diphenylethanone;1-phenylethanone?
The IUPAC name of 2-methoxy-1,2-diphenylethanone;1-phenylethanone (CID 159117865) is 2-methoxy-1,2-diphenylethanone;1-phenylethanone.
What is the SMILES notation for 2-methoxy-1,2-diphenylethanone;1-phenylethanone?
The canonical SMILES for 2-methoxy-1,2-diphenylethanone;1-phenylethanone is CC(=O)c1ccccc1.COC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methoxy-1,2-diphenylethanone;1-phenylethanone?
The InChIKey is KFHRCJPRMXTGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C8H8O/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7(9)8-5-3-2-4-6-8/h2-11,15H,1H3;2-6H,1H3.
What are the key properties of 2-methoxy-1,2-diphenylethanone;1-phenylethanone?
2-methoxy-1,2-diphenylethanone;1-phenylethanone has a molecular weight of 346.43 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,2-diphenylethanone;1-phenylethanone is sourced from PubChem (CID 159117865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).