7-hydroxy-4-propylchromen-2-one

C12H12O3 — CID 5322246

IUPAC7-hydroxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C12H12O3/c1-2-3-8-6-12(14)15-11-7-9(13)4-5-10(8)11/h4-7,13H,2-3H2,1H3
InChIKeyGQJVOVBBBZRUBH-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.45
Rot. Bonds2

About 7-hydroxy-4-propylchromen-2-one

7-hydroxy-4-propylchromen-2-one (PubChem CID 5322246) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7-hydroxy-4-propylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-propylchromen-2-one
PubChem CID5322246
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name7-hydroxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C12H12O3/c1-2-3-8-6-12(14)15-11-7-9(13)4-5-10(8)11/h4-7,13H,2-3H2,1H3
InChIKeyGQJVOVBBBZRUBH-UHFFFAOYSA-N
XLogP2.45
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-hydroxy-4-propylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-propylchromen-2-one?
The IUPAC name of 7-hydroxy-4-propylchromen-2-one (CID 5322246) is 7-hydroxy-4-propylchromen-2-one.
What is the SMILES notation for 7-hydroxy-4-propylchromen-2-one?
The canonical SMILES for 7-hydroxy-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-4-propylchromen-2-one?
The InChIKey is GQJVOVBBBZRUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-3-8-6-12(14)15-11-7-9(13)4-5-10(8)11/h4-7,13H,2-3H2,1H3.
What are the key properties of 7-hydroxy-4-propylchromen-2-one?
7-hydroxy-4-propylchromen-2-one has a molecular weight of 204.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-propylchromen-2-one is sourced from PubChem (CID 5322246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).