2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol

C16H15BrOS — CID 105077495

IUPAC2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1)C1CSc2ccccc21
InChIInChI=1S/C16H15BrOS/c17-12-7-5-11(6-8-12)9-15(18)14-10-19-16-4-2-1-3-13(14)16/h1-8,14-15,18H,9-10H2
InChIKeyJYVDCNMTNJFHQO-UHFFFAOYSA-N
MW335.27 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol

2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol (PubChem CID 105077495) has the molecular formula C16H15BrOS and a molecular weight of 335.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
PubChem CID105077495
Molecular FormulaC16H15BrOS
Molecular Weight335.27 g/mol
Exact Mass334.00
IUPAC Name2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1)C1CSc2ccccc21
InChIInChI=1S/C16H15BrOS/c17-12-7-5-11(6-8-12)9-15(18)14-10-19-16-4-2-1-3-13(14)16/h1-8,14-15,18H,9-10H2
InChIKeyJYVDCNMTNJFHQO-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol
CID 105091347
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 103053466
2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105086826
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109800
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 105108225
[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 106657550
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105107477
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylethanamine
CID 105181172
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121368
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105136455
3-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2,3-dihydro-1-benzothiophene
CID 79218314

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol (CID 105077495) is 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol is OC(Cc1ccc(Br)cc1)C1CSc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The InChIKey is JYVDCNMTNJFHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrOS/c17-12-7-5-11(6-8-12)9-15(18)14-10-19-16-4-2-1-3-13(14)16/h1-8,14-15,18H,9-10H2.
What are the key properties of 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol has a molecular weight of 335.27 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 105077495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).