2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one

C19H16O4 — CID 12006528

IUPAC2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one
SMILESO=c1c(-c2ccccc2)c(CO)oc(CO)c1-c1ccccc1
InChIInChI=1S/C19H16O4/c20-11-15-17(13-7-3-1-4-8-13)19(22)18(16(12-21)23-15)14-9-5-2-6-10-14/h1-10,20-21H,11-12H2
InChIKeyCVISGXYQWNLKMU-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.96
Rot. Bonds4

About 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one

2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one (PubChem CID 12006528) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one.

Molecular Properties

Compound Name2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one
PubChem CID12006528
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one
SMILESO=c1c(-c2ccccc2)c(CO)oc(CO)c1-c1ccccc1
InChIInChI=1S/C19H16O4/c20-11-15-17(13-7-3-1-4-8-13)19(22)18(16(12-21)23-15)14-9-5-2-6-10-14/h1-10,20-21H,11-12H2
InChIKeyCVISGXYQWNLKMU-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-sulfanylcycloprop-2-en-1-one
CID 12695478
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1,3-diphenylcyclopenta[a]indene-2,4-dione
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2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one
CID 170194757
4-(2-fluorophenyl)-3-(hydroxymethyl)isochromen-1-one
CID 118131358
1-[5-[5-hydroxy-3-(hydroxymethyl)-4-phenylfuran-2-yl]pentyl]pyrrole-2,5-dione
CID 141266658
2-ethyl-3-phenyl-5-prop-1-ynylchromen-4-one
CID 145057403
2,3,4,5-tetrakis(hydroxymethyl)-6-phenylphenol
CID 88593001
2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
6-methyl-4,5-diphenylpyran-2-one
CID 71359580
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
CID 70599531

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one?
The IUPAC name of 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one (CID 12006528) is 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one.
What is the SMILES notation for 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one?
The canonical SMILES for 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one is O=c1c(-c2ccccc2)c(CO)oc(CO)c1-c1ccccc1.
What is the InChIKey of 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one?
The InChIKey is CVISGXYQWNLKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c20-11-15-17(13-7-3-1-4-8-13)19(22)18(16(12-21)23-15)14-9-5-2-6-10-14/h1-10,20-21H,11-12H2.
What are the key properties of 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one?
2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one has a molecular weight of 308.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(hydroxymethyl)-3,5-diphenylpyran-4-one is sourced from PubChem (CID 12006528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).