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

C20H22O2S — CID 134811657

IUPAC7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1OC(CSCC1Cc3cccc(C)c3O1)C2
InChIInChI=1S/C20H22O2S/c1-13-5-3-7-15-9-17(21-19(13)15)11-23-12-18-10-16-8-4-6-14(2)20(16)22-18/h3-8,17-18H,9-12H2,1-2H3
InChIKeyBBSVPYNFDHVXDF-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.34
Rot. Bonds4

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

7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran (PubChem CID 134811657) has the molecular formula C20H22O2S and a molecular weight of 326.46 g/mol. Its IUPAC name is 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran
PubChem CID134811657
Molecular FormulaC20H22O2S
Molecular Weight326.46 g/mol
Exact Mass326.13
IUPAC Name7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1OC(CSCC1Cc3cccc(C)c3O1)C2
InChIInChI=1S/C20H22O2S/c1-13-5-3-7-15-9-17(21-19(13)15)11-23-12-18-10-16-8-4-6-14(2)20(16)22-18/h3-8,17-18H,9-12H2,1-2H3
InChIKeyBBSVPYNFDHVXDF-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran with MolForge

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Related Compounds

(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine
CID 70260688
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56701421
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
[(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95205980
2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 125485635
[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 68964315
(Z)-4-hydroxy-4-oxobut-2-enoate;(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-ylazanium
CID 6434161

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran (CID 134811657) is 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran is Cc1cccc2c1OC(CSCC1Cc3cccc(C)c3O1)C2.
What is the InChIKey of 7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is BBSVPYNFDHVXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2S/c1-13-5-3-7-15-9-17(21-19(13)15)11-23-12-18-10-16-8-4-6-14(2)20(16)22-18/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)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran?
7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 326.46 g/mol, XLogP of 4.34, 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)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 134811657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).