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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Related Compounds

CID 151326583
CID 151326583
3,4,5-triethoxyphenol
CID 19754898
3,4-diethoxy-7-ethylnaphthalen-1-ol
CID 19872804
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
4,5-diethoxy-3-propan-2-ylbenzene-1,2-diol
CID 87960841
2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol
CID 154951443
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
CID 54849601
2-ethoxy-4-methyl-3-prop-2-enylaniline
CID 20792230
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
(2,3,4,5-tetraethoxyphenyl) dihydrogen phosphate
CID 122506436
(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126123356
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308

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).