3,4,5-triethoxy-2-prop-2-enylphenol

C15H22O4 — CID 88626302

IUPAC3,4,5-triethoxy-2-prop-2-enylphenol
SMILESC=CCc1c(O)cc(OCC)c(OCC)c1OCC
InChIInChI=1S/C15H22O4/c1-5-9-11-12(16)10-13(17-6-2)15(19-8-4)14(11)18-7-3/h5,10,16H,1,6-9H2,2-4H3
InChIKeyJFKFHNZJTRMHRN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.32
Rot. Bonds8

About 3,4,5-triethoxy-2-prop-2-enylphenol

3,4,5-triethoxy-2-prop-2-enylphenol (PubChem CID 88626302) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,4,5-triethoxy-2-prop-2-enylphenol.

Molecular Properties

Compound Name3,4,5-triethoxy-2-prop-2-enylphenol
PubChem CID88626302
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3,4,5-triethoxy-2-prop-2-enylphenol
SMILESC=CCc1c(O)cc(OCC)c(OCC)c1OCC
InChIInChI=1S/C15H22O4/c1-5-9-11-12(16)10-13(17-6-2)15(19-8-4)14(11)18-7-3/h5,10,16H,1,6-9H2,2-4H3
InChIKeyJFKFHNZJTRMHRN-UHFFFAOYSA-N
XLogP3.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3,4,5-triethoxy-2-prop-2-enylphenol?
The IUPAC name of 3,4,5-triethoxy-2-prop-2-enylphenol (CID 88626302) is 3,4,5-triethoxy-2-prop-2-enylphenol.
What is the SMILES notation for 3,4,5-triethoxy-2-prop-2-enylphenol?
The canonical SMILES for 3,4,5-triethoxy-2-prop-2-enylphenol is C=CCc1c(O)cc(OCC)c(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-2-prop-2-enylphenol?
The InChIKey is JFKFHNZJTRMHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-9-11-12(16)10-13(17-6-2)15(19-8-4)14(11)18-7-3/h5,10,16H,1,6-9H2,2-4H3.
What are the key properties of 3,4,5-triethoxy-2-prop-2-enylphenol?
3,4,5-triethoxy-2-prop-2-enylphenol has a molecular weight of 266.34 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-2-prop-2-enylphenol is sourced from PubChem (CID 88626302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).