8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one

C21H20O3 — CID 629333

IUPAC8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one
SMILESCc1ccc(OC2=CC3(C)c4cc(C)ccc4OC3CC2=O)cc1
InChIInChI=1S/C21H20O3/c1-13-4-7-15(8-5-13)23-19-12-21(3)16-10-14(2)6-9-18(16)24-20(21)11-17(19)22/h4-10,12,20H,11H2,1-3H3
InChIKeyBPGSOBCRNYMYGX-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.26
Rot. Bonds2

About 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one

8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one (PubChem CID 629333) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one.

Molecular Properties

Compound Name8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one
PubChem CID629333
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one
SMILESCc1ccc(OC2=CC3(C)c4cc(C)ccc4OC3CC2=O)cc1
InChIInChI=1S/C21H20O3/c1-13-4-7-15(8-5-13)23-19-12-21(3)16-10-14(2)6-9-18(16)24-20(21)11-17(19)22/h4-10,12,20H,11H2,1-3H3
InChIKeyBPGSOBCRNYMYGX-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one?
The IUPAC name of 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one (CID 629333) is 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one.
What is the SMILES notation for 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one?
The canonical SMILES for 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one is Cc1ccc(OC2=CC3(C)c4cc(C)ccc4OC3CC2=O)cc1.
What is the InChIKey of 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one?
The InChIKey is BPGSOBCRNYMYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-13-4-7-15(8-5-13)23-19-12-21(3)16-10-14(2)6-9-18(16)24-20(21)11-17(19)22/h4-10,12,20H,11H2,1-3H3.
What are the key properties of 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one?
8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one has a molecular weight of 320.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9b-dimethyl-2-(4-methylphenoxy)-4,4a-dihydrodibenzofuran-3-one is sourced from PubChem (CID 629333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).