1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol

C17H17FO2S — CID 107719822

IUPAC1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCC2Cc3ccccc3S2)cc1F
InChIInChI=1S/C17H17FO2S/c1-11(19)15-7-6-13(9-16(15)18)20-10-14-8-12-4-2-3-5-17(12)21-14/h2-7,9,11,14,19H,8,10H2,1H3
InChIKeyVFLINKHRXPVJLU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.97
Rot. Bonds4

About 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol

1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol (PubChem CID 107719822) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol
PubChem CID107719822
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(OCC2Cc3ccccc3S2)cc1F
InChIInChI=1S/C17H17FO2S/c1-11(19)15-7-6-13(9-16(15)18)20-10-14-8-12-4-2-3-5-17(12)21-14/h2-7,9,11,14,19H,8,10H2,1H3
InChIKeyVFLINKHRXPVJLU-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 79222447
1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 102948382
4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenol
CID 79221844
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
2-[[4-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79222684
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-5-methylphenyl]methanol
CID 79222757
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
2-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692846
(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 107719943
N-[[5-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79782487

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol (CID 107719822) is 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol is CC(O)c1ccc(OCC2Cc3ccccc3S2)cc1F.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol?
The InChIKey is VFLINKHRXPVJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-11(19)15-7-6-13(9-16(15)18)20-10-14-8-12-4-2-3-5-17(12)21-14/h2-7,9,11,14,19H,8,10H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol?
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol has a molecular weight of 304.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol is sourced from PubChem (CID 107719822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).