4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol

C19H18N2O3 — CID 761640

IUPAC4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol
SMILESCOc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1O
InChIInChI=1S/C19H18N2O3/c1-23-15-9-12(10-16(24-2)18(15)22)19-20-13-7-3-5-11-6-4-8-14(21-19)17(11)13/h3-10,19-22H,1-2H3
InChIKeySLPOXKWJWGJWPE-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.10
Rot. Bonds3

About 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol

4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol (PubChem CID 761640) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol
PubChem CID761640
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol
SMILESCOc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1O
InChIInChI=1S/C19H18N2O3/c1-23-15-9-12(10-16(24-2)18(15)22)19-20-13-7-3-5-11-6-4-8-14(21-19)17(11)13/h3-10,19-22H,1-2H3
InChIKeySLPOXKWJWGJWPE-UHFFFAOYSA-N
XLogP4.10
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol (CID 761640) is 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol is COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1O.
What is the InChIKey of 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol?
The InChIKey is SLPOXKWJWGJWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-15-9-12(10-16(24-2)18(15)22)19-20-13-7-3-5-11-6-4-8-14(21-19)17(11)13/h3-10,19-22H,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol?
4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol has a molecular weight of 322.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenol is sourced from PubChem (CID 761640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).