phenacyl 2-phenylmethoxybenzoate

C22H18O4 — CID 2565163

IUPACphenacyl 2-phenylmethoxybenzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O4/c23-20(18-11-5-2-6-12-18)16-26-22(24)19-13-7-8-14-21(19)25-15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyFTOPOGRYDGQDDB-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.31
Rot. Bonds7

About phenacyl 2-phenylmethoxybenzoate

phenacyl 2-phenylmethoxybenzoate (PubChem CID 2565163) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is phenacyl 2-phenylmethoxybenzoate.

Molecular Properties

Compound Namephenacyl 2-phenylmethoxybenzoate
PubChem CID2565163
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Namephenacyl 2-phenylmethoxybenzoate
SMILESO=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O4/c23-20(18-11-5-2-6-12-18)16-26-22(24)19-13-7-8-14-21(19)25-15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyFTOPOGRYDGQDDB-UHFFFAOYSA-N
XLogP4.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
phenacyl 2-[(3-bromophenyl)methoxy]benzoate
CID 18274703
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate
CID 1009884
[2-oxo-2-(4-phenylphenyl)ethyl] 2-ethoxybenzoate
CID 7758309
[2-(2-bromophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 23768164
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771214
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
[2-(1-adamantyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 7718124
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
(2-morpholin-4-yl-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2365991
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 7439931
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-phenylmethoxybenzoate?
The IUPAC name of phenacyl 2-phenylmethoxybenzoate (CID 2565163) is phenacyl 2-phenylmethoxybenzoate.
What is the SMILES notation for phenacyl 2-phenylmethoxybenzoate?
The canonical SMILES for phenacyl 2-phenylmethoxybenzoate is O=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccccc1.
What is the InChIKey of phenacyl 2-phenylmethoxybenzoate?
The InChIKey is FTOPOGRYDGQDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c23-20(18-11-5-2-6-12-18)16-26-22(24)19-13-7-8-14-21(19)25-15-17-9-3-1-4-10-17/h1-14H,15-16H2.
What are the key properties of phenacyl 2-phenylmethoxybenzoate?
phenacyl 2-phenylmethoxybenzoate has a molecular weight of 346.38 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-phenylmethoxybenzoate is sourced from PubChem (CID 2565163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).