6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one

C20H14O6 — CID 91637202

IUPAC6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
SMILESCC(=O)c1ccc2c(c1O)C(c1coc3ccccc3c1=O)CC(=O)O2
InChIInChI=1S/C20H14O6/c1-10(21)11-6-7-16-18(20(11)24)13(8-17(22)26-16)14-9-25-15-5-3-2-4-12(15)19(14)23/h2-7,9,13,24H,8H2,1H3
InChIKeyWQRHRPALSNEOPV-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.14
Rot. Bonds2

About 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one

6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one (PubChem CID 91637202) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
PubChem CID91637202
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
SMILESCC(=O)c1ccc2c(c1O)C(c1coc3ccccc3c1=O)CC(=O)O2
InChIInChI=1S/C20H14O6/c1-10(21)11-6-7-16-18(20(11)24)13(8-17(22)26-16)14-9-25-15-5-3-2-4-12(15)19(14)23/h2-7,9,13,24H,8H2,1H3
InChIKeyWQRHRPALSNEOPV-UHFFFAOYSA-N
XLogP3.14
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one (CID 91637202) is 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one is CC(=O)c1ccc2c(c1O)C(c1coc3ccccc3c1=O)CC(=O)O2.
What is the InChIKey of 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one?
The InChIKey is WQRHRPALSNEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c1-10(21)11-6-7-16-18(20(11)24)13(8-17(22)26-16)14-9-25-15-5-3-2-4-12(15)19(14)23/h2-7,9,13,24H,8H2,1H3.
What are the key properties of 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one?
6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one has a molecular weight of 350.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 91637202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).