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

C18H16N2O2 — CID 760603

IUPAC4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
SMILESCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O
InChIInChI=1S/C18H16N2O2/c1-22-16-10-12(8-9-15(16)21)18-19-13-6-2-4-11-5-3-7-14(20-18)17(11)13/h2-10,18-21H,1H3
InChIKeyYRGCJUJHYQYQHQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.09
Rot. Bonds2

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

4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol (PubChem CID 760603) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
PubChem CID760603
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
SMILESCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O
InChIInChI=1S/C18H16N2O2/c1-22-16-10-12(8-9-15(16)21)18-19-13-6-2-4-11-5-3-7-14(20-18)17(11)13/h2-10,18-21H,1H3
InChIKeyYRGCJUJHYQYQHQ-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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Related Compounds

4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol
CID 760604
2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 727037
2-(4-propoxyphenyl)-2,3-dihydro-1H-perimidine
CID 1742045
4-(2,3-Dihydro-1H-perimidin-2-yl)-phenol
CID 256659
2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
CID 854279
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
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 4750171
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol (CID 760603) is 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol is COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O.
What is the InChIKey of 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol?
The InChIKey is YRGCJUJHYQYQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-16-10-12(8-9-15(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 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol?
4-(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 4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol is sourced from PubChem (CID 760603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).