3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one

C19H14O4 — CID 15557594

IUPAC3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one
SMILESO=C1c2ccccc2OCC1Cc1coc2ccccc2c1=O
InChIInChI=1S/C19H14O4/c20-18-12(10-22-16-7-3-1-5-14(16)18)9-13-11-23-17-8-4-2-6-15(17)19(13)21/h1-8,10,13H,9,11H2
InChIKeyUWIRLGYTLQDMGD-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.23
Rot. Bonds2

About 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one

3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one (PubChem CID 15557594) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one.

Molecular Properties

Compound Name3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one
PubChem CID15557594
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one
SMILESO=C1c2ccccc2OCC1Cc1coc2ccccc2c1=O
InChIInChI=1S/C19H14O4/c20-18-12(10-22-16-7-3-1-5-14(16)18)9-13-11-23-17-8-4-2-6-15(17)19(13)21/h1-8,10,13H,9,11H2
InChIKeyUWIRLGYTLQDMGD-UHFFFAOYSA-N
XLogP3.23
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one?
The IUPAC name of 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one (CID 15557594) is 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one.
What is the SMILES notation for 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one?
The canonical SMILES for 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one is O=C1c2ccccc2OCC1Cc1coc2ccccc2c1=O.
What is the InChIKey of 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one?
The InChIKey is UWIRLGYTLQDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-18-12(10-22-16-7-3-1-5-14(16)18)9-13-11-23-17-8-4-2-6-15(17)19(13)21/h1-8,10,13H,9,11H2.
What are the key properties of 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one?
3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one has a molecular weight of 306.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-oxo-2,3-dihydrochromen-3-yl)methyl]chromen-4-one is sourced from PubChem (CID 15557594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).