methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate

C12H14O3 — CID 67810005

IUPACmethyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate
SMILESCOC(=O)C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C12H14O3/c1-15-11(14)10(13)12(7-8-12)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3
InChIKeyZUMZXXQGZDJHPT-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.25
Rot. Bonds3

About methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate

methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate (PubChem CID 67810005) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate
PubChem CID67810005
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate
SMILESCOC(=O)C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C12H14O3/c1-15-11(14)10(13)12(7-8-12)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3
InChIKeyZUMZXXQGZDJHPT-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate (CID 67810005) is methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate is COC(=O)C(O)C1(c2ccccc2)CC1.
What is the InChIKey of methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate?
The InChIKey is ZUMZXXQGZDJHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-11(14)10(13)12(7-8-12)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3.
What are the key properties of methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate?
methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate has a molecular weight of 206.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate is sourced from PubChem (CID 67810005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).