7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran

C20H22O3S — CID 134811685

IUPAC7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1OC(CS(=O)CC1Cc3cccc(C)c3O1)C2
InChIInChI=1S/C20H22O3S/c1-13-5-3-7-15-9-17(22-19(13)15)11-24(21)12-18-10-16-8-4-6-14(2)20(16)23-18/h3-8,17-18H,9-12H2,1-2H3
InChIKeyJXBSDLVOEDRNNJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.36
Rot. Bonds4

About 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran

7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran (PubChem CID 134811685) has the molecular formula C20H22O3S and a molecular weight of 342.46 g/mol. Its IUPAC name is 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran
PubChem CID134811685
Molecular FormulaC20H22O3S
Molecular Weight342.46 g/mol
Exact Mass342.13
IUPAC Name7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1OC(CS(=O)CC1Cc3cccc(C)c3O1)C2
InChIInChI=1S/C20H22O3S/c1-13-5-3-7-15-9-17(22-19(13)15)11-24(21)12-18-10-16-8-4-6-14(2)20(16)23-18/h3-8,17-18H,9-12H2,1-2H3
InChIKeyJXBSDLVOEDRNNJ-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran (CID 134811685) is 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran is Cc1cccc2c1OC(CS(=O)CC1Cc3cccc(C)c3O1)C2.
What is the InChIKey of 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is JXBSDLVOEDRNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3S/c1-13-5-3-7-15-9-17(22-19(13)15)11-24(21)12-18-10-16-8-4-6-14(2)20(16)23-18/h3-8,17-18H,9-12H2,1-2H3.
What are the key properties of 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran?
7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 342.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfinylmethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 134811685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).