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

C18H16N2O2 — CID 854279

IUPAC2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C2Nc3cccc4cccc(c34)N2)c1O
InChIInChI=1S/C18H16N2O2/c1-22-15-10-4-7-12(17(15)21)18-19-13-8-2-5-11-6-3-9-14(20-18)16(11)13/h2-10,18-21H,1H3
InChIKeyDWZZNCGUVUHLRM-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.09
Rot. Bonds2

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

2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol (PubChem CID 854279) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
PubChem CID854279
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C2Nc3cccc4cccc(c34)N2)c1O
InChIInChI=1S/C18H16N2O2/c1-22-15-10-4-7-12(17(15)21)18-19-13-8-2-5-11-6-3-9-14(20-18)16(11)13/h2-10,18-21H,1H3
InChIKeyDWZZNCGUVUHLRM-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol
CID 760604
2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 727037
4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
CID 760603
2-(4-Methoxyphenyl)-2,3-dihydro-1h-perimidine
CID 256655
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol
CID 761631
2-(3-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 256656
2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 668463
2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 656216
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-naphthalen-1-ylbenzenesulfonamide
CID 70701393
5-(2,3-dihydroperimidin-2-yl)-2H-benzo[d]1,3-dioxolane
CID 256212
2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 761627
2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 256657

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol?
The IUPAC name of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol (CID 854279) is 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol is COc1cccc(C2Nc3cccc4cccc(c34)N2)c1O.
What is the InChIKey of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol?
The InChIKey is DWZZNCGUVUHLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-15-10-4-7-12(17(15)21)18-19-13-8-2-5-11-6-3-9-14(20-18)16(11)13/h2-10,18-21H,1H3.
What are the key properties of 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol?
2-(2,3-dihydro-1H-perimidin-2-yl)-6-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 2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol is sourced from PubChem (CID 854279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).