3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

C14H18O2S — CID 114724900

IUPAC3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCSCCC(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C14H18O2S/c1-3-17-7-6-12(15)14-9-11-8-10(2)4-5-13(11)16-14/h4-5,8-9,12,15H,3,6-7H2,1-2H3
InChIKeyTVWFAWPFBPVCRK-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.92
Rot. Bonds5

About 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol

3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 114724900) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
PubChem CID114724900
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
SMILESCCSCCC(O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C14H18O2S/c1-3-17-7-6-12(15)14-9-11-8-10(2)4-5-13(11)16-14/h4-5,8-9,12,15H,3,6-7H2,1-2H3
InChIKeyTVWFAWPFBPVCRK-UHFFFAOYSA-N
XLogP3.92
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
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
3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 105129193
2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726766
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol (CID 114724900) is 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is CCSCCC(O)c1cc2cc(C)ccc2o1.
What is the InChIKey of 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is TVWFAWPFBPVCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-3-17-7-6-12(15)14-9-11-8-10(2)4-5-13(11)16-14/h4-5,8-9,12,15H,3,6-7H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol?
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 114724900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).