methyl 4-phenacyloxybenzoate

C16H14O4 — CID 897256

IUPACmethyl 4-phenacyloxybenzoate
SMILESCOC(=O)c1ccc(OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14O4/c1-19-16(18)13-7-9-14(10-8-13)20-11-15(17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyBCQXPIIOARROPF-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.73
Rot. Bonds5

About methyl 4-phenacyloxybenzoate

methyl 4-phenacyloxybenzoate (PubChem CID 897256) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 4-phenacyloxybenzoate.

Molecular Properties

Compound Namemethyl 4-phenacyloxybenzoate
PubChem CID897256
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namemethyl 4-phenacyloxybenzoate
SMILESCOC(=O)c1ccc(OCC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H14O4/c1-19-16(18)13-7-9-14(10-8-13)20-11-15(17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyBCQXPIIOARROPF-UHFFFAOYSA-N
XLogP2.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-phenacyloxybenzoate?
The IUPAC name of methyl 4-phenacyloxybenzoate (CID 897256) is methyl 4-phenacyloxybenzoate.
What is the SMILES notation for methyl 4-phenacyloxybenzoate?
The canonical SMILES for methyl 4-phenacyloxybenzoate is COC(=O)c1ccc(OCC(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-phenacyloxybenzoate?
The InChIKey is BCQXPIIOARROPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-16(18)13-7-9-14(10-8-13)20-11-15(17)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of methyl 4-phenacyloxybenzoate?
methyl 4-phenacyloxybenzoate has a molecular weight of 270.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenacyloxybenzoate is sourced from PubChem (CID 897256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).