2-phenyl-2-prop-2-enoxyacetate

C11H11O3- — CID 131736719

IUPAC2-phenyl-2-prop-2-enoxyacetate
SMILESC=CCOC(C(=O)[O-])c1ccccc1
InChIInChI=1S/C11H12O3/c1-2-8-14-10(11(12)13)9-6-4-3-5-7-9/h2-7,10H,1,8H2,(H,12,13)/p-1
InChIKeyXAJYVDMOEURIAR-UHFFFAOYSA-M
MW191.21 g/mol
LogP0.68
Rot. Bonds5

About 2-phenyl-2-prop-2-enoxyacetate

2-phenyl-2-prop-2-enoxyacetate (PubChem CID 131736719) has the molecular formula C11H11O3- and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-phenyl-2-prop-2-enoxyacetate.

Molecular Properties

Compound Name2-phenyl-2-prop-2-enoxyacetate
PubChem CID131736719
Molecular FormulaC11H11O3-
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name2-phenyl-2-prop-2-enoxyacetate
SMILESC=CCOC(C(=O)[O-])c1ccccc1
InChIInChI=1S/C11H12O3/c1-2-8-14-10(11(12)13)9-6-4-3-5-7-9/h2-7,10H,1,8H2,(H,12,13)/p-1
InChIKeyXAJYVDMOEURIAR-UHFFFAOYSA-M
XLogP0.68
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.68
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

(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323
disodium;2-[carboxylato(phenyl)methoxy]-2-phenylacetate
CID 91666684
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
2-methoxy-2-phenylacetate
CID 4569340
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
lithium (2S)-2-phenyl-2-prop-2-enylsulfanylacetate
CID 67041651
sodium phenyl(prop-2-enoxy)methanesulfonate
CID 87934253
[nitro(phenyl)methyl] prop-2-enyl carbonate
CID 87148469

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-prop-2-enoxyacetate?
The IUPAC name of 2-phenyl-2-prop-2-enoxyacetate (CID 131736719) is 2-phenyl-2-prop-2-enoxyacetate.
What is the SMILES notation for 2-phenyl-2-prop-2-enoxyacetate?
The canonical SMILES for 2-phenyl-2-prop-2-enoxyacetate is C=CCOC(C(=O)[O-])c1ccccc1.
What is the InChIKey of 2-phenyl-2-prop-2-enoxyacetate?
The InChIKey is XAJYVDMOEURIAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12O3/c1-2-8-14-10(11(12)13)9-6-4-3-5-7-9/h2-7,10H,1,8H2,(H,12,13)/p-1.
What are the key properties of 2-phenyl-2-prop-2-enoxyacetate?
2-phenyl-2-prop-2-enoxyacetate has a molecular weight of 191.21 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-prop-2-enoxyacetate is sourced from PubChem (CID 131736719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).