3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran

C17H16O2S — CID 90983368

IUPAC3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran
SMILESCc1cc(C)c2oc(C)c(S(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H16O2S/c1-11-9-12(2)16-15(10-11)17(13(3)19-16)20(18)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyWQWWPNCIDZVNER-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.52
Rot. Bonds2

About 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran

3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran (PubChem CID 90983368) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran.

Molecular Properties

Compound Name3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran
PubChem CID90983368
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran
SMILESCc1cc(C)c2oc(C)c(S(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H16O2S/c1-11-9-12(2)16-15(10-11)17(13(3)19-16)20(18)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyWQWWPNCIDZVNER-UHFFFAOYSA-N
XLogP4.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-3-[(S)-phenylsulfinyl]-1-benzofuran
CID 139072564
2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran
CID 91114748
3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran
CID 139086545
3-(benzenesulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran
CID 123511581
2-(4-bromophenyl)-5,7-dimethyl-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139073449
3,4,6,8-tetramethylchromen-2-one
CID 71322900
methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione
CID 158660915
2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine
CID 164802902
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
benzenesulfinylbenzene;trichloro(methyl)silane
CID 68863151
5-bromo-2,4,6-trimethyl-3-[(R)-(3-methylphenyl)sulfinyl]-1-benzofuran
CID 139086448
8,10-dimethyl-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 167354961

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran?
The IUPAC name of 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran (CID 90983368) is 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran.
What is the SMILES notation for 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran?
The canonical SMILES for 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran is Cc1cc(C)c2oc(C)c(S(=O)c3ccccc3)c2c1.
What is the InChIKey of 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran?
The InChIKey is WQWWPNCIDZVNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-11-9-12(2)16-15(10-11)17(13(3)19-16)20(18)14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran?
3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran has a molecular weight of 284.38 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-2,5,7-trimethyl-1-benzofuran is sourced from PubChem (CID 90983368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).