5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol

C18H16N2O2 — CID 2863715

IUPAC5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
SMILESCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1O
InChIInChI=1S/C18H16N2O2/c1-22-16-9-8-12(10-15(16)21)18-19-13-6-2-4-11-5-3-7-14(20-18)17(11)13/h2-10,18-21H,1H3
InChIKeyGTHNINLDBDANIA-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.09
Rot. Bonds2

About 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol

5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol (PubChem CID 2863715) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
PubChem CID2863715
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
SMILESCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1O
InChIInChI=1S/C18H16N2O2/c1-22-16-9-8-12(10-15(16)21)18-19-13-6-2-4-11-5-3-7-14(20-18)17(11)13/h2-10,18-21H,1H3
InChIKeyGTHNINLDBDANIA-UHFFFAOYSA-N
XLogP4.09
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol?
The IUPAC name of 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol (CID 2863715) is 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol?
The canonical SMILES for 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol is COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1O.
What is the InChIKey of 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol?
The InChIKey is GTHNINLDBDANIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-16-9-8-12(10-15(16)21)18-19-13-6-2-4-11-5-3-7-14(20-18)17(11)13/h2-10,18-21H,1H3.
What are the key properties of 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol?
5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol has a molecular weight of 292.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol is sourced from PubChem (CID 2863715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).