methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate

C14H18O3 — CID 36689088

IUPACmethyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESCOC(=O)[C@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3/t14-/m0/s1
InChIKeyFGMUSNHTKNGVQD-AWEZNQCLSA-N
MW234.30 g/mol
LogP2.24
Rot. Bonds3

About methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate

methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate (PubChem CID 36689088) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
PubChem CID36689088
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namemethyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESCOC(=O)[C@](O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3/t14-/m0/s1
InChIKeyFGMUSNHTKNGVQD-AWEZNQCLSA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate?
The IUPAC name of methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate (CID 36689088) is methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate is COC(=O)[C@](O)(c1ccccc1)C1CCCC1.
What is the InChIKey of methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate?
The InChIKey is FGMUSNHTKNGVQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3/t14-/m0/s1.
What are the key properties of methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate?
methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate has a molecular weight of 234.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 36689088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).