(4-oxocyclohexyl) 2-phenylacetate

C14H16O3 — CID 175483439

IUPAC(4-oxocyclohexyl) 2-phenylacetate
SMILESO=C1CCC(OC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C14H16O3/c15-12-6-8-13(9-7-12)17-14(16)10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyYQCPHZDJPPZRLZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.28
Rot. Bonds3

About (4-oxocyclohexyl) 2-phenylacetate

(4-oxocyclohexyl) 2-phenylacetate (PubChem CID 175483439) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4-oxocyclohexyl) 2-phenylacetate.

Molecular Properties

Compound Name(4-oxocyclohexyl) 2-phenylacetate
PubChem CID175483439
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(4-oxocyclohexyl) 2-phenylacetate
SMILESO=C1CCC(OC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C14H16O3/c15-12-6-8-13(9-7-12)17-14(16)10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyYQCPHZDJPPZRLZ-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 2-phenylacetate
CID 135066962
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
N-(4-oxocyclohexyl)-2-phenylacetamide
CID 43652835
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
(4-oxocyclohexyl) 3-oxo-4-phenylhexanoate
CID 10891989
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
(4-oxocyclohexyl) 2-ethylbenzoate
CID 174637503
[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
CID 1106174
[(1R,5S)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylacetate
CID 10061357
piperidin-2-yl 2-phenylacetate
CID 154340125

Frequently Asked Questions

What is the IUPAC name of (4-oxocyclohexyl) 2-phenylacetate?
The IUPAC name of (4-oxocyclohexyl) 2-phenylacetate (CID 175483439) is (4-oxocyclohexyl) 2-phenylacetate.
What is the SMILES notation for (4-oxocyclohexyl) 2-phenylacetate?
The canonical SMILES for (4-oxocyclohexyl) 2-phenylacetate is O=C1CCC(OC(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-oxocyclohexyl) 2-phenylacetate?
The InChIKey is YQCPHZDJPPZRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-12-6-8-13(9-7-12)17-14(16)10-11-4-2-1-3-5-11/h1-5,13H,6-10H2.
What are the key properties of (4-oxocyclohexyl) 2-phenylacetate?
(4-oxocyclohexyl) 2-phenylacetate has a molecular weight of 232.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxocyclohexyl) 2-phenylacetate is sourced from PubChem (CID 175483439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).