2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C18H14N2O4 — CID 7120026

IUPAC2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc2c1Oc1nc(-c3cccc(O)c3)[nH]c(=O)c1C2
InChIInChI=1S/C18H14N2O4/c1-23-14-7-3-4-10-9-13-17(22)19-16(20-18(13)24-15(10)14)11-5-2-6-12(21)8-11/h2-8,21H,9H2,1H3,(H,19,20,22)
InChIKeyOQHRBNREJHBJEJ-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.85
Rot. Bonds2

About 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 7120026) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID7120026
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc2c1Oc1nc(-c3cccc(O)c3)[nH]c(=O)c1C2
InChIInChI=1S/C18H14N2O4/c1-23-14-7-3-4-10-9-13-17(22)19-16(20-18(13)24-15(10)14)11-5-2-6-12(21)8-11/h2-8,21H,9H2,1H3,(H,19,20,22)
InChIKeyOQHRBNREJHBJEJ-UHFFFAOYSA-N
XLogP2.85
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 7120026) is 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is COc1cccc2c1Oc1nc(-c3cccc(O)c3)[nH]c(=O)c1C2.
What is the InChIKey of 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is OQHRBNREJHBJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-23-14-7-3-4-10-9-13-17(22)19-16(20-18(13)24-15(10)14)11-5-2-6-12(21)8-11/h2-8,21H,9H2,1H3,(H,19,20,22).
What are the key properties of 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 322.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7120026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).