8-acetyl-7-methoxychromen-2-one

C12H10O4 — CID 14116752

IUPAC8-acetyl-7-methoxychromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1C(C)=O
InChIInChI=1S/C12H10O4/c1-7(13)11-9(15-2)5-3-8-4-6-10(14)16-12(8)11/h3-6H,1-2H3
InChIKeyOTYBDEHZHXKGBO-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.00
Rot. Bonds2

About 8-acetyl-7-methoxychromen-2-one

8-acetyl-7-methoxychromen-2-one (PubChem CID 14116752) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 8-acetyl-7-methoxychromen-2-one.

Molecular Properties

Compound Name8-acetyl-7-methoxychromen-2-one
PubChem CID14116752
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name8-acetyl-7-methoxychromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1C(C)=O
InChIInChI=1S/C12H10O4/c1-7(13)11-9(15-2)5-3-8-4-6-10(14)16-12(8)11/h3-6H,1-2H3
InChIKeyOTYBDEHZHXKGBO-UHFFFAOYSA-N
XLogP2.00
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxychromen-2-one?
The IUPAC name of 8-acetyl-7-methoxychromen-2-one (CID 14116752) is 8-acetyl-7-methoxychromen-2-one.
What is the SMILES notation for 8-acetyl-7-methoxychromen-2-one?
The canonical SMILES for 8-acetyl-7-methoxychromen-2-one is COc1ccc2ccc(=O)oc2c1C(C)=O.
What is the InChIKey of 8-acetyl-7-methoxychromen-2-one?
The InChIKey is OTYBDEHZHXKGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-7(13)11-9(15-2)5-3-8-4-6-10(14)16-12(8)11/h3-6H,1-2H3.
What are the key properties of 8-acetyl-7-methoxychromen-2-one?
8-acetyl-7-methoxychromen-2-one has a molecular weight of 218.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-7-methoxychromen-2-one is sourced from PubChem (CID 14116752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).