6-acetyl-2-methylidenechromen-4-one

C12H10O3 — CID 89241349

IUPAC6-acetyl-2-methylidenechromen-4-one
SMILESC=C1CC(=O)c2cc(C(C)=O)ccc2O1
InChIInChI=1S/C12H10O3/c1-7-5-11(14)10-6-9(8(2)13)3-4-12(10)15-7/h3-4,6H,1,5H2,2H3
InChIKeyDNUFINLKFMOMIH-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.37
Rot. Bonds1

About 6-acetyl-2-methylidenechromen-4-one

6-acetyl-2-methylidenechromen-4-one (PubChem CID 89241349) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-acetyl-2-methylidenechromen-4-one.

Molecular Properties

Compound Name6-acetyl-2-methylidenechromen-4-one
PubChem CID89241349
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name6-acetyl-2-methylidenechromen-4-one
SMILESC=C1CC(=O)c2cc(C(C)=O)ccc2O1
InChIInChI=1S/C12H10O3/c1-7-5-11(14)10-6-9(8(2)13)3-4-12(10)15-7/h3-4,6H,1,5H2,2H3
InChIKeyDNUFINLKFMOMIH-UHFFFAOYSA-N
XLogP2.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-methylidenechromen-4-one?
The IUPAC name of 6-acetyl-2-methylidenechromen-4-one (CID 89241349) is 6-acetyl-2-methylidenechromen-4-one.
What is the SMILES notation for 6-acetyl-2-methylidenechromen-4-one?
The canonical SMILES for 6-acetyl-2-methylidenechromen-4-one is C=C1CC(=O)c2cc(C(C)=O)ccc2O1.
What is the InChIKey of 6-acetyl-2-methylidenechromen-4-one?
The InChIKey is DNUFINLKFMOMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-7-5-11(14)10-6-9(8(2)13)3-4-12(10)15-7/h3-4,6H,1,5H2,2H3.
What are the key properties of 6-acetyl-2-methylidenechromen-4-one?
6-acetyl-2-methylidenechromen-4-one has a molecular weight of 202.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-methylidenechromen-4-one is sourced from PubChem (CID 89241349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).