1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol

C15H20O2S — CID 114726614

IUPAC1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCc1ccc2oc(C(O)CSCC(C)C)cc2c1
InChIInChI=1S/C15H20O2S/c1-10(2)8-18-9-13(16)15-7-12-6-11(3)4-5-14(12)17-15/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyXRUQOGCFLDYDKE-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.16
Rot. Bonds5

About 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol

1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol (PubChem CID 114726614) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
PubChem CID114726614
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
SMILESCc1ccc2oc(C(O)CSCC(C)C)cc2c1
InChIInChI=1S/C15H20O2S/c1-10(2)8-18-9-13(16)15-7-12-6-11(3)4-5-14(12)17-15/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyXRUQOGCFLDYDKE-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

1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726766
2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726793
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
CID 114727398
1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol (CID 114726614) is 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol is Cc1ccc2oc(C(O)CSCC(C)C)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
The InChIKey is XRUQOGCFLDYDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-10(2)8-18-9-13(16)15-7-12-6-11(3)4-5-14(12)17-15/h4-7,10,13,16H,8-9H2,1-3H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol?
1-(5-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-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol is sourced from PubChem (CID 114726614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).