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

C16H15FO2S — CID 66359946

IUPAC[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol
SMILESOCc1cccc(SCC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C16H15FO2S/c17-13-4-5-16-12(7-13)8-14(19-16)10-20-15-3-1-2-11(6-15)9-18/h1-7,14,18H,8-10H2
InChIKeyKBBODJPZOQYSAL-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.41
Rot. Bonds4

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

[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol (PubChem CID 66359946) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol
PubChem CID66359946
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol
SMILESOCc1cccc(SCC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C16H15FO2S/c17-13-4-5-16-12(7-13)8-14(19-16)10-20-15-3-1-2-11(6-15)9-18/h1-7,14,18H,8-10H2
InChIKeyKBBODJPZOQYSAL-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol with MolForge

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Related Compounds

5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 147180543
[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
CID 107230638
N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 66365411
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid
CID 66364079
4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-3-methylaniline
CID 66362969
5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one
CID 66348944
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
CID 66360930
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 79431432
4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine
CID 66365684
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 66364862

Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol (CID 66359946) is [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol is OCc1cccc(SCC2Cc3cc(F)ccc3O2)c1.
What is the InChIKey of [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol?
The InChIKey is KBBODJPZOQYSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c17-13-4-5-16-12(7-13)8-14(19-16)10-20-15-3-1-2-11(6-15)9-18/h1-7,14,18H,8-10H2.
What are the key properties of [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol?
[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol has a molecular weight of 290.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 66359946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).