methyl (2R)-2-phenyl-2-prop-2-enoxyacetate

C12H14O3 — CID 5324854

IUPACmethyl (2R)-2-phenyl-2-prop-2-enoxyacetate
SMILESC=CCO[C@@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C12H14O3/c1-3-9-15-11(12(13)14-2)10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3/t11-/m1/s1
InChIKeyWJURZVWJABCBMX-LLVKDONJSA-N
MW206.24 g/mol
LogP2.10
Rot. Bonds5

About methyl (2R)-2-phenyl-2-prop-2-enoxyacetate

methyl (2R)-2-phenyl-2-prop-2-enoxyacetate (PubChem CID 5324854) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-prop-2-enoxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-prop-2-enoxyacetate
PubChem CID5324854
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl (2R)-2-phenyl-2-prop-2-enoxyacetate
SMILESC=CCO[C@@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C12H14O3/c1-3-9-15-11(12(13)14-2)10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3/t11-/m1/s1
InChIKeyWJURZVWJABCBMX-LLVKDONJSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323
2-phenyl-2-prop-2-enoxyacetate
CID 131736719
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate
CID 45114266
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
CID 82353260
methyl 2-(3-aminopropoxy)-2-phenylacetate
CID 82352677
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-prop-2-enoxyacetate?
The IUPAC name of methyl (2R)-2-phenyl-2-prop-2-enoxyacetate (CID 5324854) is methyl (2R)-2-phenyl-2-prop-2-enoxyacetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-prop-2-enoxyacetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-prop-2-enoxyacetate is C=CCO[C@@H](C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-prop-2-enoxyacetate?
The InChIKey is WJURZVWJABCBMX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-9-15-11(12(13)14-2)10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-prop-2-enoxyacetate?
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate has a molecular weight of 206.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-prop-2-enoxyacetate is sourced from PubChem (CID 5324854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).