2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol

C12H14O2S — CID 117175993

IUPAC2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol
SMILESCC(C)SCc1cc2cc(O)ccc2o1
InChIInChI=1S/C12H14O2S/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,13H,7H2,1-2H3
InChIKeyFXZJKJOPHQJZIT-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.78
Rot. Bonds3

About 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol

2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol (PubChem CID 117175993) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol
PubChem CID117175993
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol
SMILESCC(C)SCc1cc2cc(O)ccc2o1
InChIInChI=1S/C12H14O2S/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,13H,7H2,1-2H3
InChIKeyFXZJKJOPHQJZIT-UHFFFAOYSA-N
XLogP3.78
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175988
6-chloro-2-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117179426
3-amino-4-(propan-2-ylsulfanylmethyl)phenol
CID 117221430
2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
CID 117195301
5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
CID 117176006
ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
CID 23074286
1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol
CID 117176891
3-chloro-4-(propan-2-ylsulfanylmethyl)phenol
CID 117219843
2-(1,1-difluoroethyl)-1-benzofuran-5-ol
CID 84668029
3-(2-decyl-1-benzofuran-5-yl)phenol
CID 102136549
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117175998
3-acetyl-6-[2-[4-(propan-2-ylsulfanylmethyl)phenyl]ethyl]chromen-2-one
CID 59545602

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol?
The IUPAC name of 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol (CID 117175993) is 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol.
What is the SMILES notation for 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol?
The canonical SMILES for 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol is CC(C)SCc1cc2cc(O)ccc2o1.
What is the InChIKey of 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol?
The InChIKey is FXZJKJOPHQJZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol?
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol has a molecular weight of 222.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol is sourced from PubChem (CID 117175993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).