2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran

C17H16OS — CID 91114748

IUPAC2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran
SMILESCc1cc(C)c2oc(C)c(Sc3ccccc3)c2c1
InChIInChI=1S/C17H16OS/c1-11-9-12(2)16-15(10-11)17(13(3)18-16)19-14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyFDWJLMSHQLARKD-UHFFFAOYSA-N
MW268.38 g/mol
LogP5.51
Rot. Bonds2

About 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran

2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran (PubChem CID 91114748) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran.

Molecular Properties

Compound Name2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran
PubChem CID91114748
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran
SMILESCc1cc(C)c2oc(C)c(Sc3ccccc3)c2c1
InChIInChI=1S/C17H16OS/c1-11-9-12(2)16-15(10-11)17(13(3)18-16)19-14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyFDWJLMSHQLARKD-UHFFFAOYSA-N
XLogP5.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.38
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-benzofuran
CID 3517936
Dibenzofuran, 4-methyl-
CID 43489
5-Methyl-2-phenyl-1-benzofuran
CID 1211950
(E)-3-(1-benzothiophen-5-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732204
2-Methyldibenzofuran
CID 81755
Tifurac
CID 59358
2-(4-Butoxy-benzylidene)-benzo[b]thiophen-3-one
CID 1732631
4-(3-Benzyl-5-methyl-1-benzofuran-2-yl)butan-2-one
CID 1918987
(R)-2-Acetylsulfanyl-3-dibenzofuran-2-yl-propionic acid
CID 9839836
(R)-2-Benzoylsulfanyl-3-dibenzofuran-2-yl-propionic acid
CID 10110056
2-Methyl-5-{3-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole
CID 45482758
5-(2-tert-butylbenzofuran-3-yl)sulfanyl-4-hydroxy-2-phenethyl-2-phenyl-3H-pyran-6-one
CID 54688106

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran?
The IUPAC name of 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran (CID 91114748) is 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran.
What is the SMILES notation for 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran?
The canonical SMILES for 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran is Cc1cc(C)c2oc(C)c(Sc3ccccc3)c2c1.
What is the InChIKey of 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran?
The InChIKey is FDWJLMSHQLARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-11-9-12(2)16-15(10-11)17(13(3)18-16)19-14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran?
2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran has a molecular weight of 268.38 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-3-phenylsulfanyl-1-benzofuran is sourced from PubChem (CID 91114748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).