2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol

C23H28O4 — CID 160676628

IUPAC2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
SMILESC=CCOc1ccc(CC=C)cc1OC.C=CCc1ccc(O)c(OC)c1
InChIInChI=1S/C13H16O2.C10H12O2/c1-4-6-11-7-8-12(15-9-5-2)13(10-11)14-3;1-3-4-8-5-6-9(11)10(7-8)12-2/h4-5,7-8,10H,1-2,6,9H2,3H3;3,5-7,11H,1,4H2,2H3
InChIKeyRNPOHTTTYLGCGE-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.12
Rot. Bonds9

About 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol

2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol (PubChem CID 160676628) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
PubChem CID160676628
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
SMILESC=CCOc1ccc(CC=C)cc1OC.C=CCc1ccc(O)c(OC)c1
InChIInChI=1S/C13H16O2.C10H12O2/c1-4-6-11-7-8-12(15-9-5-2)13(10-11)14-3;1-3-4-8-5-6-9(11)10(7-8)12-2/h4-5,7-8,10H,1-2,6,9H2,3H3;3,5-7,11H,1,4H2,2H3
InChIKeyRNPOHTTTYLGCGE-UHFFFAOYSA-N
XLogP5.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.12
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

2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol?
The IUPAC name of 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol (CID 160676628) is 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol.
What is the SMILES notation for 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol?
The canonical SMILES for 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol is C=CCOc1ccc(CC=C)cc1OC.C=CCc1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol?
The InChIKey is RNPOHTTTYLGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C10H12O2/c1-4-6-11-7-8-12(15-9-5-2)13(10-11)14-3;1-3-4-8-5-6-9(11)10(7-8)12-2/h4-5,7-8,10H,1-2,6,9H2,3H3;3,5-7,11H,1,4H2,2H3.
What are the key properties of 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol?
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol has a molecular weight of 368.47 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol is sourced from PubChem (CID 160676628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).