8-acetyl-7-propylchromen-2-one

C14H14O3 — CID 71718856

IUPAC8-acetyl-7-propylchromen-2-one
SMILESCCCc1ccc2ccc(=O)oc2c1C(C)=O
InChIInChI=1S/C14H14O3/c1-3-4-10-5-6-11-7-8-12(16)17-14(11)13(10)9(2)15/h5-8H,3-4H2,1-2H3
InChIKeyUSPPBJJLPVMWRA-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.95
Rot. Bonds3

About 8-acetyl-7-propylchromen-2-one

8-acetyl-7-propylchromen-2-one (PubChem CID 71718856) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 8-acetyl-7-propylchromen-2-one.

Molecular Properties

Compound Name8-acetyl-7-propylchromen-2-one
PubChem CID71718856
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name8-acetyl-7-propylchromen-2-one
SMILESCCCc1ccc2ccc(=O)oc2c1C(C)=O
InChIInChI=1S/C14H14O3/c1-3-4-10-5-6-11-7-8-12(16)17-14(11)13(10)9(2)15/h5-8H,3-4H2,1-2H3
InChIKeyUSPPBJJLPVMWRA-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-propylchromen-2-one?
The IUPAC name of 8-acetyl-7-propylchromen-2-one (CID 71718856) is 8-acetyl-7-propylchromen-2-one.
What is the SMILES notation for 8-acetyl-7-propylchromen-2-one?
The canonical SMILES for 8-acetyl-7-propylchromen-2-one is CCCc1ccc2ccc(=O)oc2c1C(C)=O.
What is the InChIKey of 8-acetyl-7-propylchromen-2-one?
The InChIKey is USPPBJJLPVMWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-3-4-10-5-6-11-7-8-12(16)17-14(11)13(10)9(2)15/h5-8H,3-4H2,1-2H3.
What are the key properties of 8-acetyl-7-propylchromen-2-one?
8-acetyl-7-propylchromen-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-7-propylchromen-2-one is sourced from PubChem (CID 71718856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).