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

C17H18O2S — CID 66348162

IUPAC[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol
SMILESOCc1cccc(SCCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H18O2S/c18-12-14-2-1-3-16(11-14)20-9-7-13-4-5-17-15(10-13)6-8-19-17/h1-5,10-11,18H,6-9,12H2
InChIKeyKCUVOKAYOPDRGB-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.45
Rot. Bonds5

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

[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol (PubChem CID 66348162) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol
PubChem CID66348162
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol
SMILESOCc1cccc(SCCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H18O2S/c18-12-14-2-1-3-16(11-14)20-9-7-13-4-5-17-15(10-13)6-8-19-17/h1-5,10-11,18H,6-9,12H2
InChIKeyKCUVOKAYOPDRGB-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol
CID 65445169
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149405
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-(hydroxymethyl)pyridin-2-one
CID 167822879
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol
CID 116542515
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
1-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]ethanol
CID 65445625
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol?
The IUPAC name of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol (CID 66348162) is [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol.
What is the SMILES notation for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol?
The canonical SMILES for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol is OCc1cccc(SCCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol?
The InChIKey is KCUVOKAYOPDRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c18-12-14-2-1-3-16(11-14)20-9-7-13-4-5-17-15(10-13)6-8-19-17/h1-5,10-11,18H,6-9,12H2.
What are the key properties of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol?
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol has a molecular weight of 286.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol is sourced from PubChem (CID 66348162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).