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

C19H22O2 — CID 78421503

IUPAC2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
SMILESC=CCc1ccc(O)c(OC)c1.CC=Cc1ccccc1
InChIInChI=1S/C10H12O2.C9H10/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-6-9-7-4-3-5-8-9/h3,5-7,11H,1,4H2,2H3;2-8H,1H3
InChIKeyJKTRXPUEIZZFGE-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.85
Rot. Bonds4

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

2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene (PubChem CID 78421503) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene.

Molecular Properties

Compound Name2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
PubChem CID78421503
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
SMILESC=CCc1ccc(O)c(OC)c1.CC=Cc1ccccc1
InChIInChI=1S/C10H12O2.C9H10/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-6-9-7-4-3-5-8-9/h3,5-7,11H,1,4H2,2H3;2-8H,1H3
InChIKeyJKTRXPUEIZZFGE-UHFFFAOYSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 118955388
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-1-ene-3,5-dione
CID 91231886
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene?
The IUPAC name of 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene (CID 78421503) is 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene.
What is the SMILES notation for 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene?
The canonical SMILES for 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene is C=CCc1ccc(O)c(OC)c1.CC=Cc1ccccc1.
What is the InChIKey of 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene?
The InChIKey is JKTRXPUEIZZFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H10/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-6-9-7-4-3-5-8-9/h3,5-7,11H,1,4H2,2H3;2-8H,1H3.
What are the key properties of 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene?
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene has a molecular weight of 282.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene is sourced from PubChem (CID 78421503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).