2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol

C20H18N2O — CID 854281

IUPAC2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol
SMILESC=CCc1cccc(C2Nc3cccc4cccc(c34)N2)c1O
InChIInChI=1S/C20H18N2O/c1-2-6-14-9-3-10-15(19(14)23)20-21-16-11-4-7-13-8-5-12-17(22-20)18(13)16/h2-5,7-12,20-23H,1,6H2
InChIKeyTUGTWSOIUHTFFL-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.81
Rot. Bonds3

About 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol

2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol (PubChem CID 854281) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol
PubChem CID854281
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol
SMILESC=CCc1cccc(C2Nc3cccc4cccc(c34)N2)c1O
InChIInChI=1S/C20H18N2O/c1-2-6-14-9-3-10-15(19(14)23)20-21-16-11-4-7-13-8-5-12-17(22-20)18(13)16/h2-5,7-12,20-23H,1,6H2
InChIKeyTUGTWSOIUHTFFL-UHFFFAOYSA-N
XLogP4.81
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol?
The IUPAC name of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol (CID 854281) is 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol.
What is the SMILES notation for 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol?
The canonical SMILES for 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol is C=CCc1cccc(C2Nc3cccc4cccc(c34)N2)c1O.
What is the InChIKey of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol?
The InChIKey is TUGTWSOIUHTFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-2-6-14-9-3-10-15(19(14)23)20-21-16-11-4-7-13-8-5-12-17(22-20)18(13)16/h2-5,7-12,20-23H,1,6H2.
What are the key properties of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol?
2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol has a molecular weight of 302.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-perimidin-2-yl)-6-prop-2-enylphenol is sourced from PubChem (CID 854281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).