10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one

C20H22O5 — CID 500215

IUPAC10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
SMILESC#CCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2
InChIInChI=1S/C20H22O5/c1-5-7-13-9-16(21)25-20-17(13)14(23-8-6-2)10-15-18(20)19(22)11(3)12(4)24-15/h2,9-12,19,22H,5,7-8H2,1,3-4H3
InChIKeyAXNMOVFWRHUYBB-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.21
Rot. Bonds4

About 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one

10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one (PubChem CID 500215) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one.

Molecular Properties

Compound Name10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
PubChem CID500215
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
SMILESC#CCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2
InChIInChI=1S/C20H22O5/c1-5-7-13-9-16(21)25-20-17(13)14(23-8-6-2)10-15-18(20)19(22)11(3)12(4)24-15/h2,9-12,19,22H,5,7-8H2,1,3-4H3
InChIKeyAXNMOVFWRHUYBB-UHFFFAOYSA-N
XLogP3.21
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-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 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The IUPAC name of 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one (CID 500215) is 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one.
What is the SMILES notation for 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The canonical SMILES for 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one is C#CCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2.
What is the InChIKey of 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
The InChIKey is AXNMOVFWRHUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-5-7-13-9-16(21)25-20-17(13)14(23-8-6-2)10-15-18(20)19(22)11(3)12(4)24-15/h2,9-12,19,22H,5,7-8H2,1,3-4H3.
What are the key properties of 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one?
10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one has a molecular weight of 342.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-8,9-dimethyl-4-propyl-5-prop-2-ynoxy-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one is sourced from PubChem (CID 500215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).