6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one

C13H16O4 — CID 156745726

IUPAC6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one
SMILESCCCc1c(O)cc2c(c1OC)OC(=O)CC2
InChIInChI=1S/C13H16O4/c1-3-4-9-10(14)7-8-5-6-11(15)17-12(8)13(9)16-2/h7,14H,3-6H2,1-2H3
InChIKeyOKKHNYZTYNPJGP-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.20
Rot. Bonds3

About 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one

6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one (PubChem CID 156745726) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one
PubChem CID156745726
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one
SMILESCCCc1c(O)cc2c(c1OC)OC(=O)CC2
InChIInChI=1S/C13H16O4/c1-3-4-9-10(14)7-8-5-6-11(15)17-12(8)13(9)16-2/h7,14H,3-6H2,1-2H3
InChIKeyOKKHNYZTYNPJGP-UHFFFAOYSA-N
XLogP2.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-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

Related Compounds

1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone
CID 18388441
3-(2,5-dihydroxy-3-methoxy-4-propylphenyl)-1-piperidin-1-ylpropan-1-one
CID 156745734
2-propylbenzene-1,3,5-triol
CID 13411724
5-methyl-2-propylbenzene-1,3-diol
CID 12529753
2-propyl-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-3,4-diol
CID 140991101
4-hydroxy-3,5-dimethoxy-2-propylbenzamide
CID 166451177
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 102295970
3-ethyl-2-methoxy-4-propylphenol
CID 67547848
2,10-dibromo-9-hydroxy-3-methoxy-1,7-dipropylbenzo[b][1,4]benzodioxepin-6-one
CID 170990633
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475
3-methoxy-2-propylphenol
CID 10607156
2-methoxy-6-propylnaphthalene-1,4-diol
CID 152759210

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one?
The IUPAC name of 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one (CID 156745726) is 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one is CCCc1c(O)cc2c(c1OC)OC(=O)CC2.
What is the InChIKey of 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one?
The InChIKey is OKKHNYZTYNPJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-4-9-10(14)7-8-5-6-11(15)17-12(8)13(9)16-2/h7,14H,3-6H2,1-2H3.
What are the key properties of 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one?
6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-methoxy-7-propyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 156745726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).