2-phenacyloxy-1-phenylethanone

C16H14O3 — CID 12781821

IUPAC2-phenacyloxy-1-phenylethanone
SMILESO=C(COCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O3/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyZRVBMNHMJLBKSY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.77
Rot. Bonds6

About 2-phenacyloxy-1-phenylethanone

2-phenacyloxy-1-phenylethanone (PubChem CID 12781821) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-phenacyloxy-1-phenylethanone.

Molecular Properties

Compound Name2-phenacyloxy-1-phenylethanone
PubChem CID12781821
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-phenacyloxy-1-phenylethanone
SMILESO=C(COCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O3/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyZRVBMNHMJLBKSY-UHFFFAOYSA-N
XLogP2.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
CID 23312308
2-buta-2,3-dienoxy-1-phenylethanone
CID 86015385
2-(2-methylpentoxy)-1-phenylethanone
CID 103284390
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
CID 61328747
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
benzene;2-hydroxy-1-phenylethanone
CID 174663024
4-[2-[2-[2-(2,4-dioxo-4-phenylbutoxy)ethoxy]ethoxy]ethoxy]-1-phenylbutane-1,3-dione
CID 101062104
phenol;2-phenoxy-1-phenylethanone
CID 161484281

Frequently Asked Questions

What is the IUPAC name of 2-phenacyloxy-1-phenylethanone?
The IUPAC name of 2-phenacyloxy-1-phenylethanone (CID 12781821) is 2-phenacyloxy-1-phenylethanone.
What is the SMILES notation for 2-phenacyloxy-1-phenylethanone?
The canonical SMILES for 2-phenacyloxy-1-phenylethanone is O=C(COCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenacyloxy-1-phenylethanone?
The InChIKey is ZRVBMNHMJLBKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2-phenacyloxy-1-phenylethanone?
2-phenacyloxy-1-phenylethanone has a molecular weight of 254.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacyloxy-1-phenylethanone is sourced from PubChem (CID 12781821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).