4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol

C19H18N2O2 — CID 760604

IUPAC4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol
SMILESCCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O
InChIInChI=1S/C19H18N2O2/c1-2-23-17-11-13(9-10-16(17)22)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11,19-22H,2H2,1H3
InChIKeyVPSWFBIJAAALET-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.48
Rot. Bonds3

About 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol

4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol (PubChem CID 760604) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol
PubChem CID760604
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol
SMILESCCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O
InChIInChI=1S/C19H18N2O2/c1-2-23-17-11-13(9-10-16(17)22)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11,19-22H,2H2,1H3
InChIKeyVPSWFBIJAAALET-UHFFFAOYSA-N
XLogP4.48
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.48
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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Related Compounds

2-(4-propoxyphenyl)-2,3-dihydro-1H-perimidine
CID 1742045
2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
CID 854279
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
1-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,3-dimethylphenyl)thiourea
CID 2508573
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
2-[(E)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
CID 44142165

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol?
The IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol (CID 760604) is 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol.
What is the SMILES notation for 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol?
The canonical SMILES for 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol is CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O.
What is the InChIKey of 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol?
The InChIKey is VPSWFBIJAAALET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-23-17-11-13(9-10-16(17)22)19-20-14-7-3-5-12-6-4-8-15(21-19)18(12)14/h3-11,19-22H,2H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol?
4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol has a molecular weight of 306.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol is sourced from PubChem (CID 760604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).