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

C17H17FO2S — CID 79215568

IUPAC(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OCC1CSc2ccccc21
InChIInChI=1S/C17H17FO2S/c1-11(19)14-7-6-13(18)8-16(14)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12,19H,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyLPVSPOQBHMPIPY-JHJMLUEUSA-N
MW304.39 g/mol
LogP4.15
Rot. Bonds4

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

(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol (PubChem CID 79215568) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
PubChem CID79215568
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OCC1CSc2ccccc21
InChIInChI=1S/C17H17FO2S/c1-11(19)14-7-6-13(18)8-16(14)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12,19H,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyLPVSPOQBHMPIPY-JHJMLUEUSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylphenyl]ethanol
CID 79215081
(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 102949246
(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 79215174
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine
CID 107700163
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716339
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
3-[(4-ethyl-2-methoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 107667679
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylaniline
CID 79223773

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol (CID 79215568) is (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol is C[C@@H](O)c1ccc(F)cc1OCC1CSc2ccccc21.
What is the InChIKey of (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol?
The InChIKey is LPVSPOQBHMPIPY-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-11(19)14-7-6-13(18)8-16(14)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12,19H,9-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol?
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol has a molecular weight of 304.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol is sourced from PubChem (CID 79215568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).