prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate

C19H20O3 — CID 86241422

IUPACprop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate
SMILESC=CCOC(=O)Cc1cccc(-c2ccc(O)cc2)c1CC
InChIInChI=1S/C19H20O3/c1-3-12-22-19(21)13-15-6-5-7-18(17(15)4-2)14-8-10-16(20)11-9-14/h3,5-11,20H,1,4,12-13H2,2H3
InChIKeyKRTKMRRCXCWFSX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.89
Rot. Bonds6

About prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate

prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate (PubChem CID 86241422) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate
PubChem CID86241422
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameprop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate
SMILESC=CCOC(=O)Cc1cccc(-c2ccc(O)cc2)c1CC
InChIInChI=1S/C19H20O3/c1-3-12-22-19(21)13-15-6-5-7-18(17(15)4-2)14-8-10-16(20)11-9-14/h3,5-11,20H,1,4,12-13H2,2H3
InChIKeyKRTKMRRCXCWFSX-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate?
The IUPAC name of prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate (CID 86241422) is prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate.
What is the SMILES notation for prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate?
The canonical SMILES for prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate is C=CCOC(=O)Cc1cccc(-c2ccc(O)cc2)c1CC.
What is the InChIKey of prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate?
The InChIKey is KRTKMRRCXCWFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-12-22-19(21)13-15-6-5-7-18(17(15)4-2)14-8-10-16(20)11-9-14/h3,5-11,20H,1,4,12-13H2,2H3.
What are the key properties of prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate?
prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate has a molecular weight of 296.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate is sourced from PubChem (CID 86241422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).