1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol

C15H20O2S — CID 114726617

IUPAC1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCc1cccc2cc(C(O)CSCC(C)C)oc12
InChIInChI=1S/C15H20O2S/c1-10(2)8-18-9-13(16)14-7-12-6-4-5-11(3)15(12)17-14/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyROZTZMMSSNMAST-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.16
Rot. Bonds5

About 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol

1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol (PubChem CID 114726617) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
PubChem CID114726617
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCc1cccc2cc(C(O)CSCC(C)C)oc12
InChIInChI=1S/C15H20O2S/c1-10(2)8-18-9-13(16)14-7-12-6-4-5-11(3)15(12)17-14/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyROZTZMMSSNMAST-UHFFFAOYSA-N
XLogP4.16
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114728964
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
(1S)-1-(7-methyl-1-benzofuran-2-yl)-2-nitroethanol
CID 132500627
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
CID 114726451
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
CID 105129309
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
CID 114726335
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol (CID 114726617) is 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol is Cc1cccc2cc(C(O)CSCC(C)C)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The InChIKey is ROZTZMMSSNMAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-10(2)8-18-9-13(16)14-7-12-6-4-5-11(3)15(12)17-14/h4-7,10,13,16H,8-9H2,1-3H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol has a molecular weight of 264.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol is sourced from PubChem (CID 114726617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).