5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

C26H30O6 — CID 15719490

IUPAC5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
SMILESCOc1cc(O)ccc1C1CC(=O)c2c(O)cc3c(c2O1)CC(CC=C(C)C)C(C)(C)O3
InChIInChI=1S/C26H30O6/c1-14(2)6-7-15-10-18-23(32-26(15,3)4)13-20(29)24-19(28)12-22(31-25(18)24)17-9-8-16(27)11-21(17)30-5/h6,8-9,11,13,15,22,27,29H,7,10,12H2,1-5H3
InChIKeyQBFPWKGRQPYWRQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.50
Rot. Bonds4

About 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one

5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one (PubChem CID 15719490) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
PubChem CID15719490
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
SMILESCOc1cc(O)ccc1C1CC(=O)c2c(O)cc3c(c2O1)CC(CC=C(C)C)C(C)(C)O3
InChIInChI=1S/C26H30O6/c1-14(2)6-7-15-10-18-23(32-26(15,3)4)13-20(29)24-19(28)12-22(31-25(18)24)17-9-8-16(27)11-21(17)30-5/h6,8-9,11,13,15,22,27,29H,7,10,12H2,1-5H3
InChIKeyQBFPWKGRQPYWRQ-UHFFFAOYSA-N
XLogP5.50
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-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-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one (CID 15719490) is 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one is COc1cc(O)ccc1C1CC(=O)c2c(O)cc3c(c2O1)CC(CC=C(C)C)C(C)(C)O3.
What is the InChIKey of 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
The InChIKey is QBFPWKGRQPYWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6/c1-14(2)6-7-15-10-18-23(32-26(15,3)4)13-20(29)24-19(28)12-22(31-25(18)24)17-9-8-16(27)11-21(17)30-5/h6,8-9,11,13,15,22,27,29H,7,10,12H2,1-5H3.
What are the key properties of 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one?
5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one has a molecular weight of 438.52 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 15719490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).