(2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate

C18H18O3 — CID 25238

IUPAC(2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate
SMILESC=CCc1ccc(OC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3
InChIKeyJEEUACXJJPNYOL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.57
Rot. Bonds6

About (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate

(2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate (PubChem CID 25238) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate
PubChem CID25238
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate
SMILESC=CCc1ccc(OC(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3
InChIKeyJEEUACXJJPNYOL-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate (CID 25238) is (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate is C=CCc1ccc(OC(=O)Cc2ccccc2)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate?
The InChIKey is JEEUACXJJPNYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3.
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate?
(2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate has a molecular weight of 282.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-2-enylphenyl) 2-phenylacetate is sourced from PubChem (CID 25238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).