2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol

C16H16O2S — CID 65445169

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol
SMILESOc1ccccc1SCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H16O2S/c17-14-3-1-2-4-16(14)19-10-8-12-5-6-15-13(11-12)7-9-18-15/h1-6,11,17H,7-10H2
InChIKeyQHLIWHBAJDOVRV-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.66
Rot. Bonds4

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol (PubChem CID 65445169) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol
PubChem CID65445169
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol
SMILESOc1ccccc1SCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H16O2S/c17-14-3-1-2-4-16(14)19-10-8-12-5-6-15-13(11-12)7-9-18-15/h1-6,11,17H,7-10H2
InChIKeyQHLIWHBAJDOVRV-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol
CID 66348162
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149405
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 86952245
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]butanoic acid
CID 65444695
2-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl-methylamino]propanoic acid
CID 122036768
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol (CID 65445169) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol is Oc1ccccc1SCCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol?
The InChIKey is QHLIWHBAJDOVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c17-14-3-1-2-4-16(14)19-10-8-12-5-6-15-13(11-12)7-9-18-15/h1-6,11,17H,7-10H2.
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol has a molecular weight of 272.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol is sourced from PubChem (CID 65445169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).