cyclopropyl 2-phenylacetate

C11H12O2 — CID 135066962

IUPACcyclopropyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1CC1
InChIInChI=1S/C11H12O2/c12-11(13-10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyRLYWTROCXILNJN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.93
Rot. Bonds3

About cyclopropyl 2-phenylacetate

cyclopropyl 2-phenylacetate (PubChem CID 135066962) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is cyclopropyl 2-phenylacetate.

Molecular Properties

Compound Namecyclopropyl 2-phenylacetate
PubChem CID135066962
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Namecyclopropyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1CC1
InChIInChI=1S/C11H12O2/c12-11(13-10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyRLYWTROCXILNJN-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-oxocyclohexyl) 2-phenylacetate
CID 175483439
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
[(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
(4-hydroxycyclohexyl) 3-phenylpropanoate
CID 132584936
piperidin-2-yl 2-phenylacetate
CID 154340125
cyclopentyl 2-[4-(aminomethyl)phenyl]acetate
CID 174631265
[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate
CID 174377756
[(1S,5S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylacetate
CID 91750089

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2-phenylacetate?
The IUPAC name of cyclopropyl 2-phenylacetate (CID 135066962) is cyclopropyl 2-phenylacetate.
What is the SMILES notation for cyclopropyl 2-phenylacetate?
The canonical SMILES for cyclopropyl 2-phenylacetate is O=C(Cc1ccccc1)OC1CC1.
What is the InChIKey of cyclopropyl 2-phenylacetate?
The InChIKey is RLYWTROCXILNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-11(13-10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of cyclopropyl 2-phenylacetate?
cyclopropyl 2-phenylacetate has a molecular weight of 176.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-phenylacetate is sourced from PubChem (CID 135066962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).