(1-phenylcyclopropyl) acetate

C11H12O2 — CID 121216912

IUPAC(1-phenylcyclopropyl) acetate
SMILESCC(=O)OC1(c2ccccc2)CC1
InChIInChI=1S/C11H12O2/c1-9(12)13-11(7-8-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyWRCZGAQQFGVKRY-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.24
Rot. Bonds2

About (1-phenylcyclopropyl) acetate

(1-phenylcyclopropyl) acetate (PubChem CID 121216912) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1-phenylcyclopropyl) acetate.

Molecular Properties

Compound Name(1-phenylcyclopropyl) acetate
PubChem CID121216912
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(1-phenylcyclopropyl) acetate
SMILESCC(=O)OC1(c2ccccc2)CC1
InChIInChI=1S/C11H12O2/c1-9(12)13-11(7-8-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyWRCZGAQQFGVKRY-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenylcyclopropyl) N-methylcarbamate
CID 174645561
[1-(3-hydroxyphenyl)cyclopentyl] acetate
CID 169012987
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
[(3R,5S)-1,5-dimethyl-3-phenylpiperidin-3-yl] acetate
CID 684754
(1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride
CID 126478160
[(3R,5R)-1-tert-butyl-5-methyl-3-phenylpiperidin-1-ium-3-yl] acetate
CID 7079722
[(3R,5S)-1-tert-butyl-5-methyl-3-phenylpiperidin-1-ium-3-yl] acetate
CID 6922097
[(3S,5S)-1,5-ditert-butyl-3-phenylpiperidin-1-ium-3-yl] acetate
CID 7124613
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
1-(1-phenylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443105
[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate
CID 22993462
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl) acetate?
The IUPAC name of (1-phenylcyclopropyl) acetate (CID 121216912) is (1-phenylcyclopropyl) acetate.
What is the SMILES notation for (1-phenylcyclopropyl) acetate?
The canonical SMILES for (1-phenylcyclopropyl) acetate is CC(=O)OC1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl) acetate?
The InChIKey is WRCZGAQQFGVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-9(12)13-11(7-8-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of (1-phenylcyclopropyl) acetate?
(1-phenylcyclopropyl) acetate has a molecular weight of 176.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl) acetate is sourced from PubChem (CID 121216912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).