8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C18H14N2O3 — CID 136629673

IUPAC8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccc2oc3c(=O)[nH]c(COc4ccccc4)nc3c2c1
InChIInChI=1S/C18H14N2O3/c1-11-7-8-14-13(9-11)16-17(23-14)18(21)20-15(19-16)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyGZPIHNTYWHKZIV-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.56
Rot. Bonds3

About 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 136629673) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID136629673
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccc2oc3c(=O)[nH]c(COc4ccccc4)nc3c2c1
InChIInChI=1S/C18H14N2O3/c1-11-7-8-14-13(9-11)16-17(23-14)18(21)20-15(19-16)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyGZPIHNTYWHKZIV-UHFFFAOYSA-N
XLogP3.56
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135751025
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
CID 82947655
8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135498125
2-(3-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 137178547
2-[[[(1S)-1-phenylethyl]amino]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135734957
2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135739578
8-chloro-2-[(4-methylpiperazin-1-yl)methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867984
2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135735087
5-ethyl-4-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 63612447
2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867966
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium
CID 135751064
8-methyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 143831183

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 136629673) is 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is Cc1ccc2oc3c(=O)[nH]c(COc4ccccc4)nc3c2c1.
What is the InChIKey of 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is GZPIHNTYWHKZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-7-8-14-13(9-11)16-17(23-14)18(21)20-15(19-16)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 306.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(phenoxymethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136629673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).