8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one

C18H12O5 — CID 102282263

IUPAC8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one
SMILESCC(=O)c1c(C(=O)c2ccccc2O)ccc2ccc(=O)oc12
InChIInChI=1S/C18H12O5/c1-10(19)16-13(17(22)12-4-2-3-5-14(12)20)8-6-11-7-9-15(21)23-18(11)16/h2-9,20H,1H3
InChIKeyBYIDIFRCIIUMHM-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.93
Rot. Bonds3

About 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one

8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one (PubChem CID 102282263) has the molecular formula C18H12O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one.

Molecular Properties

Compound Name8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one
PubChem CID102282263
Molecular FormulaC18H12O5
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Name8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one
SMILESCC(=O)c1c(C(=O)c2ccccc2O)ccc2ccc(=O)oc12
InChIInChI=1S/C18H12O5/c1-10(19)16-13(17(22)12-4-2-3-5-14(12)20)8-6-11-7-9-15(21)23-18(11)16/h2-9,20H,1H3
InChIKeyBYIDIFRCIIUMHM-UHFFFAOYSA-N
XLogP2.93
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one?
The IUPAC name of 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one (CID 102282263) is 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one.
What is the SMILES notation for 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one?
The canonical SMILES for 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one is CC(=O)c1c(C(=O)c2ccccc2O)ccc2ccc(=O)oc12.
What is the InChIKey of 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one?
The InChIKey is BYIDIFRCIIUMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O5/c1-10(19)16-13(17(22)12-4-2-3-5-14(12)20)8-6-11-7-9-15(21)23-18(11)16/h2-9,20H,1H3.
What are the key properties of 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one?
8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one has a molecular weight of 308.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-7-(2-hydroxybenzoyl)chromen-2-one is sourced from PubChem (CID 102282263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).