2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol

C21H26O4 — CID 158780722

IUPAC2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
SMILESC=CCc1cc(C)c(O)c(OC)c1.C=CCc1ccc(O)c(OC)c1
InChIInChI=1S/C11H14O2.C10H12O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3;1-3-4-8-5-6-9(11)10(7-8)12-2/h4,6-7,12H,1,5H2,2-3H3;3,5-7,11H,1,4H2,2H3
InChIKeyIRAVDDMBLIVOJZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.57
Rot. Bonds6

About 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol

2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol (PubChem CID 158780722) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
PubChem CID158780722
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
SMILESC=CCc1cc(C)c(O)c(OC)c1.C=CCc1ccc(O)c(OC)c1
InChIInChI=1S/C11H14O2.C10H12O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3;1-3-4-8-5-6-9(11)10(7-8)12-2/h4,6-7,12H,1,5H2,2-3H3;3,5-7,11H,1,4H2,2H3
InChIKeyIRAVDDMBLIVOJZ-UHFFFAOYSA-N
XLogP4.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
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-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol
CID 174882244
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
2-[(E)-3-(4-hydroxy-3-methoxyphenoxy)prop-2-enyl]-6-methoxy-4-prop-2-enylphenol
CID 25231264
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol?
The IUPAC name of 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol (CID 158780722) is 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol.
What is the SMILES notation for 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol?
The canonical SMILES for 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol is C=CCc1cc(C)c(O)c(OC)c1.C=CCc1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol?
The InChIKey is IRAVDDMBLIVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C10H12O2/c1-4-5-9-6-8(2)11(12)10(7-9)13-3;1-3-4-8-5-6-9(11)10(7-8)12-2/h4,6-7,12H,1,5H2,2-3H3;3,5-7,11H,1,4H2,2H3.
What are the key properties of 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol?
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol has a molecular weight of 342.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol is sourced from PubChem (CID 158780722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).