methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate

C12H14O3 — CID 23323992

IUPACmethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
SMILESCOC(=O)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C12H14O3/c1-15-11(13)12(14,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3
InChIKeyMMJMAYQGQDQOLE-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate

methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate (PubChem CID 23323992) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
PubChem CID23323992
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
SMILESCOC(=O)C(O)(c1ccccc1)C1CC1
InChIInChI=1S/C12H14O3/c1-15-11(13)12(14,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3
InChIKeyMMJMAYQGQDQOLE-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
methyl 2-hydroxy-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
CID 138501092
methyl (2S)-2-hydroxy-2-[(1S)-2-oxocyclohex-3-en-1-yl]-2-phenylacetate
CID 11054395
2-cyclopropyl-2-hydroxy-1,2-diphenylethanone
CID 69294173
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 20689589
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
(1,1-dimethylpyrrolidin-1-ium-3-yl) (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
CID 67246707
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
CID 16733901

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate?
The IUPAC name of methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate (CID 23323992) is methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate is COC(=O)C(O)(c1ccccc1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate?
The InChIKey is MMJMAYQGQDQOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-11(13)12(14,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate?
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate has a molecular weight of 206.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 23323992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).