2-(3,5-dihydroxyphenyl)-4H-chromen-3-one

C15H12O4 — CID 146216391

IUPAC2-(3,5-dihydroxyphenyl)-4H-chromen-3-one
SMILESO=C1Cc2ccccc2OC1c1cc(O)cc(O)c1
InChIInChI=1S/C15H12O4/c16-11-5-10(6-12(17)8-11)15-13(18)7-9-3-1-2-4-14(9)19-15/h1-6,8,15-17H,7H2
InChIKeyAXYAOCVOALVNKL-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.34
Rot. Bonds1

About 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one

2-(3,5-dihydroxyphenyl)-4H-chromen-3-one (PubChem CID 146216391) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-4H-chromen-3-one
PubChem CID146216391
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-(3,5-dihydroxyphenyl)-4H-chromen-3-one
SMILESO=C1Cc2ccccc2OC1c1cc(O)cc(O)c1
InChIInChI=1S/C15H12O4/c16-11-5-10(6-12(17)8-11)15-13(18)7-9-3-1-2-4-14(9)19-15/h1-6,8,15-17H,7H2
InChIKeyAXYAOCVOALVNKL-UHFFFAOYSA-N
XLogP2.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one (CID 146216391) is 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one is O=C1Cc2ccccc2OC1c1cc(O)cc(O)c1.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one?
The InChIKey is AXYAOCVOALVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-11-5-10(6-12(17)8-11)15-13(18)7-9-3-1-2-4-14(9)19-15/h1-6,8,15-17H,7H2.
What are the key properties of 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one?
2-(3,5-dihydroxyphenyl)-4H-chromen-3-one has a molecular weight of 256.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxyphenyl)-4H-chromen-3-one is sourced from PubChem (CID 146216391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).