3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one

C₂₂H₂₄O₅ — CID 123142462

About 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one

3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one (PubChem CID 123142462) has the molecular formula C₂₂H₂₄O₅ and a molecular weight of 368.43 g/mol. Its IUPAC name is 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one.

Molecular Properties

• Compound Name: 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one
• PubChem CID: 123142462
• Molecular Formula: C₂₂H₂₄O₅
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.16
• IUPAC Name: 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one
• SMILES: CC1C(=O)Oc2ccc(O)cc2C1C.CC1C(=O)Oc2ccccc2C1C
• InChI: InChI=1S/C11H12O3.C11H12O2/c1-6-7(2)11(13)14-10-4-3-8(12)5-9(6)10;1-7-8(2)11(12)13-10-6-4-3-5-9(7)10/h3-7,12H,1-2H3;3-8H,1-2H3
• InChIKey: LVQJUJXMQJRETF-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one?

The IUPAC name of 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one (CID 123142462) is 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one.

What is the SMILES notation for 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one?

The canonical SMILES for 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one is CC1C(=O)Oc2ccc(O)cc2C1C.CC1C(=O)Oc2ccccc2C1C.

What is the InChIKey of 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one?

The InChIKey is LVQJUJXMQJRETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C11H12O2/c1-6-7(2)11(13)14-10-4-3-8(12)5-9(6)10;1-7-8(2)11(12)13-10-6-4-3-5-9(7)10/h3-7,12H,1-2H3;3-8H,1-2H3.

What are the key properties of 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one?

3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one has a molecular weight of 368.43 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-3,4-dihydrochromen-2-one;6-hydroxy-3,4-dimethyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 123142462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123142462 — identifiers, structure, computed properties (public domain)

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