(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol

C22H20O4 — CID 166661948

IUPAC(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
SMILESCOOc1ccc([C@@H]2c3ccc(O)cc3OCC2c2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-24-26-18-10-7-16(8-11-18)22-19-12-9-17(23)13-21(19)25-14-20(22)15-5-3-2-4-6-15/h2-13,20,22-23H,14H2,1H3/t20?,22-/m1/s1
InChIKeyRHGUDRMIDBMZBN-LWMIZPGFSA-N
MW348.40 g/mol
LogP4.64
Rot. Bonds4

About (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol

(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 166661948) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID166661948
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
SMILESCOOc1ccc([C@@H]2c3ccc(O)cc3OCC2c2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-24-26-18-10-7-16(8-11-18)22-19-12-9-17(23)13-21(19)25-14-20(22)15-5-3-2-4-6-15/h2-13,20,22-23H,14H2,1H3/t20?,22-/m1/s1
InChIKeyRHGUDRMIDBMZBN-LWMIZPGFSA-N
XLogP4.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol 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 (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol (CID 166661948) is (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol is COOc1ccc([C@@H]2c3ccc(O)cc3OCC2c2ccccc2)cc1.
What is the InChIKey of (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is RHGUDRMIDBMZBN-LWMIZPGFSA-N. The full InChI is InChI=1S/C22H20O4/c1-24-26-18-10-7-16(8-11-18)22-19-12-9-17(23)13-21(19)25-14-20(22)15-5-3-2-4-6-15/h2-13,20,22-23H,14H2,1H3/t20?,22-/m1/s1.
What are the key properties of (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 348.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 166661948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).