(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol

C17H17BrO2S — CID 102949246

IUPAC(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Br)cc1OCC1CSc2ccccc21
InChIInChI=1S/C17H17BrO2S/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?/m0/s1
InChIKeyOLWSFPVIAKEQLI-PXYINDEMSA-N
MW365.29 g/mol
LogP4.77
Rot. Bonds4

About (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol

(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol (PubChem CID 102949246) has the molecular formula C17H17BrO2S and a molecular weight of 365.29 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
PubChem CID102949246
Molecular FormulaC17H17BrO2S
Molecular Weight365.29 g/mol
Exact Mass364.01
IUPAC Name(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Br)cc1OCC1CSc2ccccc21
InChIInChI=1S/C17H17BrO2S/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?/m0/s1
InChIKeyOLWSFPVIAKEQLI-PXYINDEMSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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)-4-methylphenyl]ethanol
CID 79215081
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
CID 79215568
3-[(5-bromo-2-chlorophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220792
[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79223776
1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 102948382
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
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
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-methylbenzoic acid
CID 79205566

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol (CID 102949246) is (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol is C[C@H](O)c1ccc(Br)cc1OCC1CSc2ccccc21.
What is the InChIKey of (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol?
The InChIKey is OLWSFPVIAKEQLI-PXYINDEMSA-N. The full InChI is InChI=1S/C17H17BrO2S/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?/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol?
(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol has a molecular weight of 365.29 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 102949246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).