2-(methylsulfanylmethyl)-1-benzofuran-5-ol

C10H10O2S — CID 117175988

IUPAC2-(methylsulfanylmethyl)-1-benzofuran-5-ol
SMILESCSCc1cc2cc(O)ccc2o1
InChIInChI=1S/C10H10O2S/c1-13-6-9-5-7-4-8(11)2-3-10(7)12-9/h2-5,11H,6H2,1H3
InChIKeyYONBMJVVBJXYEV-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.00
Rot. Bonds2

About 2-(methylsulfanylmethyl)-1-benzofuran-5-ol

2-(methylsulfanylmethyl)-1-benzofuran-5-ol (PubChem CID 117175988) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1-benzofuran-5-ol
PubChem CID117175988
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2-(methylsulfanylmethyl)-1-benzofuran-5-ol
SMILESCSCc1cc2cc(O)ccc2o1
InChIInChI=1S/C10H10O2S/c1-13-6-9-5-7-4-8(11)2-3-10(7)12-9/h2-5,11H,6H2,1H3
InChIKeyYONBMJVVBJXYEV-UHFFFAOYSA-N
XLogP3.00
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175993
5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
CID 117176006
ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
CID 23074286
(5-ethyl-1-benzofuran-2-yl)methanol
CID 65439757
2-(1,1-difluoroethyl)-1-benzofuran-5-ol
CID 84668029
2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
CID 117195301
[2-(ethylsulfanylmethyl)-1-benzofuran-5-yl]methanamine
CID 117175838
3-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylpropanoic acid
CID 117196003
3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one
CID 170859265
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
3-(2-decyl-1-benzofuran-5-yl)phenol
CID 102136549
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1-benzofuran-5-ol?
The IUPAC name of 2-(methylsulfanylmethyl)-1-benzofuran-5-ol (CID 117175988) is 2-(methylsulfanylmethyl)-1-benzofuran-5-ol.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1-benzofuran-5-ol?
The canonical SMILES for 2-(methylsulfanylmethyl)-1-benzofuran-5-ol is CSCc1cc2cc(O)ccc2o1.
What is the InChIKey of 2-(methylsulfanylmethyl)-1-benzofuran-5-ol?
The InChIKey is YONBMJVVBJXYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-13-6-9-5-7-4-8(11)2-3-10(7)12-9/h2-5,11H,6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-1-benzofuran-5-ol?
2-(methylsulfanylmethyl)-1-benzofuran-5-ol has a molecular weight of 194.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1-benzofuran-5-ol is sourced from PubChem (CID 117175988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).