5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one

C17H18O5 — CID 131836330

IUPAC5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one
SMILESC=CCc1cc(=O)oc2c3c(cc(O)c12)OC(C(C)(C)O)C3
InChIInChI=1S/C17H18O5/c1-4-5-9-6-14(19)22-16-10-7-13(17(2,3)20)21-12(10)8-11(18)15(9)16/h4,6,8,13,18,20H,1,5,7H2,2-3H3
InChIKeyDCLHUPLEOBXOFT-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.30
Rot. Bonds3

About 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one

5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one (PubChem CID 131836330) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one
PubChem CID131836330
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one
SMILESC=CCc1cc(=O)oc2c3c(cc(O)c12)OC(C(C)(C)O)C3
InChIInChI=1S/C17H18O5/c1-4-5-9-6-14(19)22-16-10-7-13(17(2,3)20)21-12(10)8-11(18)15(9)16/h4,6,8,13,18,20H,1,5,7H2,2-3H3
InChIKeyDCLHUPLEOBXOFT-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[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 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one?
The IUPAC name of 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one (CID 131836330) is 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one.
What is the SMILES notation for 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one?
The canonical SMILES for 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one is C=CCc1cc(=O)oc2c3c(cc(O)c12)OC(C(C)(C)O)C3.
What is the InChIKey of 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one?
The InChIKey is DCLHUPLEOBXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-4-5-9-6-14(19)22-16-10-7-13(17(2,3)20)21-12(10)8-11(18)15(9)16/h4,6,8,13,18,20H,1,5,7H2,2-3H3.
What are the key properties of 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one?
5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one has a molecular weight of 302.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one is sourced from PubChem (CID 131836330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).