1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol

C13H18O2S — CID 103089875

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol
SMILESCSCCCC(O)c1cccc2c1OCC2
InChIInChI=1S/C13H18O2S/c1-16-9-3-6-12(14)11-5-2-4-10-7-8-15-13(10)11/h2,4-5,12,14H,3,6-9H2,1H3
InChIKeyLSUOGEGROLLOMU-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.80
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol

1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol (PubChem CID 103089875) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol
PubChem CID103089875
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol
SMILESCSCCCC(O)c1cccc2c1OCC2
InChIInChI=1S/C13H18O2S/c1-16-9-3-6-12(14)11-5-2-4-10-7-8-15-13(10)11/h2,4-5,12,14H,3,6-9H2,1H3
InChIKeyLSUOGEGROLLOMU-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.80
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

4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
CID 114744598
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methanol
CID 114744695
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine
CID 114747694
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol (CID 103089875) is 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol is CSCCCC(O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol?
The InChIKey is LSUOGEGROLLOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-16-9-3-6-12(14)11-5-2-4-10-7-8-15-13(10)11/h2,4-5,12,14H,3,6-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol?
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103089875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).