2-methoxy-4-prop-2-enylphenol;propanimidamide

C13H20N2O2 — CID 174912037

IUPAC2-methoxy-4-prop-2-enylphenol;propanimidamide
SMILESC=CCc1ccc(O)c(OC)c1.[H]/N=C(/N)CC
InChIInChI=1S/C10H12O2.C3H8N2/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-3(4)5/h3,5-7,11H,1,4H2,2H3;2H2,1H3,(H3,4,5)
InChIKeyGIKBCCWPDYWDOI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.46
Rot. Bonds4

About 2-methoxy-4-prop-2-enylphenol;propanimidamide

2-methoxy-4-prop-2-enylphenol;propanimidamide (PubChem CID 174912037) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-4-prop-2-enylphenol;propanimidamide.

Molecular Properties

Compound Name2-methoxy-4-prop-2-enylphenol;propanimidamide
PubChem CID174912037
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-4-prop-2-enylphenol;propanimidamide
SMILESC=CCc1ccc(O)c(OC)c1.[H]/N=C(/N)CC
InChIInChI=1S/C10H12O2.C3H8N2/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-3(4)5/h3,5-7,11H,1,4H2,2H3;2H2,1H3,(H3,4,5)
InChIKeyGIKBCCWPDYWDOI-UHFFFAOYSA-N
XLogP2.46
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'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
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
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
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-methoxy-4-prop-2-enylphenol;prop-1-enylbenzene
CID 78421503
2-methoxy-4-prop-2-enylphenol;[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]thiourea
CID 175302142
methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate
CID 137380786
2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol
CID 174882244

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-prop-2-enylphenol;propanimidamide?
The IUPAC name of 2-methoxy-4-prop-2-enylphenol;propanimidamide (CID 174912037) is 2-methoxy-4-prop-2-enylphenol;propanimidamide.
What is the SMILES notation for 2-methoxy-4-prop-2-enylphenol;propanimidamide?
The canonical SMILES for 2-methoxy-4-prop-2-enylphenol;propanimidamide is C=CCc1ccc(O)c(OC)c1.[H]/N=C(/N)CC.
What is the InChIKey of 2-methoxy-4-prop-2-enylphenol;propanimidamide?
The InChIKey is GIKBCCWPDYWDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C3H8N2/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-2-3(4)5/h3,5-7,11H,1,4H2,2H3;2H2,1H3,(H3,4,5).
What are the key properties of 2-methoxy-4-prop-2-enylphenol;propanimidamide?
2-methoxy-4-prop-2-enylphenol;propanimidamide has a molecular weight of 236.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-prop-2-enylphenol;propanimidamide is sourced from PubChem (CID 174912037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).