benzyl 2-(4-acetylphenyl)acetate

C17H16O3 — CID 121231799

IUPACbenzyl 2-(4-acetylphenyl)acetate
SMILESCC(=O)c1ccc(CC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-13(18)16-9-7-14(8-10-16)11-17(19)20-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyUXANRKATHCVCDZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.18
Rot. Bonds5

About benzyl 2-(4-acetylphenyl)acetate

benzyl 2-(4-acetylphenyl)acetate (PubChem CID 121231799) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is benzyl 2-(4-acetylphenyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-acetylphenyl)acetate
PubChem CID121231799
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Namebenzyl 2-(4-acetylphenyl)acetate
SMILESCC(=O)c1ccc(CC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-13(18)16-9-7-14(8-10-16)11-17(19)20-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyUXANRKATHCVCDZ-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-acetylbenzoate
CID 590101
benzyl 2-[4-[[dimethyl-[4-(2-oxo-2-phenylmethoxyethyl)phenyl]silyl]oxy-dimethylsilyl]phenyl]acetate
CID 140798878
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
CID 70059375
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
benzyl 2-(3,4-dihydroxyphenyl)acetate
CID 155541666
acetyloxymethyl 2-phenylacetate
CID 121486345
ethyl 2-phenylacetate
CID 7590
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
benzyl (E)-3-(4-acetylphenyl)prop-2-enoate
CID 132608073

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-acetylphenyl)acetate?
The IUPAC name of benzyl 2-(4-acetylphenyl)acetate (CID 121231799) is benzyl 2-(4-acetylphenyl)acetate.
What is the SMILES notation for benzyl 2-(4-acetylphenyl)acetate?
The canonical SMILES for benzyl 2-(4-acetylphenyl)acetate is CC(=O)c1ccc(CC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-(4-acetylphenyl)acetate?
The InChIKey is UXANRKATHCVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-13(18)16-9-7-14(8-10-16)11-17(19)20-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3.
What are the key properties of benzyl 2-(4-acetylphenyl)acetate?
benzyl 2-(4-acetylphenyl)acetate has a molecular weight of 268.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-acetylphenyl)acetate is sourced from PubChem (CID 121231799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).