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

C17H12N2O3 — CID 22515955

IUPAC2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(O)c2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C17H12N2O3/c20-12-6-3-5-11(8-12)15-18-16(21)13-9-10-4-1-2-7-14(10)22-17(13)19-15/h1-8,20H,9H2,(H,18,19,21)
InChIKeyLOCIWGRVXFKLSN-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.84
Rot. Bonds1

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

2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 22515955) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID22515955
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(O)c2)nc2c1Cc1ccccc1O2
InChIInChI=1S/C17H12N2O3/c20-12-6-3-5-11(8-12)15-18-16(21)13-9-10-4-1-2-7-14(10)22-17(13)19-15/h1-8,20H,9H2,(H,18,19,21)
InChIKeyLOCIWGRVXFKLSN-UHFFFAOYSA-N
XLogP2.84
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 22515955) is 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccc(O)c2)nc2c1Cc1ccccc1O2.
What is the InChIKey of 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is LOCIWGRVXFKLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-12-6-3-5-11(8-12)15-18-16(21)13-9-10-4-1-2-7-14(10)22-17(13)19-15/h1-8,20H,9H2,(H,18,19,21).
What are the key properties of 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 292.29 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22515955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).