(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol

C17H17BrO2S — CID 79215174

IUPAC(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H17BrO2S/c1-11(19)15-8-13(18)6-7-16(15)20-9-12-10-21-17-5-3-2-4-14(12)17/h2-8,11-12,19H,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyQXCDCSJZPZRMHG-JHJMLUEUSA-N
MW365.29 g/mol
LogP4.77
Rot. Bonds4

About (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol

(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol (PubChem CID 79215174) has the molecular formula C17H17BrO2S and a molecular weight of 365.29 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
PubChem CID79215174
Molecular FormulaC17H17BrO2S
Molecular Weight365.29 g/mol
Exact Mass364.01
IUPAC Name(1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Br)ccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H17BrO2S/c1-11(19)15-8-13(18)6-7-16(15)20-9-12-10-21-17-5-3-2-4-14(12)17/h2-8,11-12,19H,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyQXCDCSJZPZRMHG-JHJMLUEUSA-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

Analyze (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[4-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol
CID 102949246
(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
[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79223776
3-[(5-bromo-2-chlorophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220792
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
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
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403230
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205776

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol (CID 79215174) is (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1cc(Br)ccc1OCC1CSc2ccccc21.
What is the InChIKey of (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol?
The InChIKey is QXCDCSJZPZRMHG-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H17BrO2S/c1-11(19)15-8-13(18)6-7-16(15)20-9-12-10-21-17-5-3-2-4-14(12)17/h2-8,11-12,19H,9-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol?
(1R)-1-[5-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 (1R)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 79215174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).