2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

C16H17BrO2S — CID 115801375

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C16H17BrO2S/c1-19-12-5-6-13(17)11(7-12)8-14(18)16-9-10-3-2-4-15(10)20-16/h5-7,9,14,18H,2-4,8H2,1H3
InChIKeyLHMGVWSXDOOFRE-UHFFFAOYSA-N
MW353.28 g/mol
LogP4.28
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (PubChem CID 115801375) has the molecular formula C16H17BrO2S and a molecular weight of 353.28 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
PubChem CID115801375
Molecular FormulaC16H17BrO2S
Molecular Weight353.28 g/mol
Exact Mass352.01
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C16H17BrO2S/c1-19-12-5-6-13(17)11(7-12)8-14(18)16-9-10-3-2-4-15(10)20-16/h5-7,9,14,18H,2-4,8H2,1H3
InChIKeyLHMGVWSXDOOFRE-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol with MolForge

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanol
CID 63016022
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016751
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803165
2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016952
2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115779669
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63520431
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 65327998
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
2-[1-chloro-2-(3-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63543173
2-(2-chloro-5-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 102623142

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (CID 115801375) is 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is COc1ccc(Br)c(CC(O)c2cc3c(s2)CCC3)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The InChIKey is LHMGVWSXDOOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2S/c1-19-12-5-6-13(17)11(7-12)8-14(18)16-9-10-3-2-4-15(10)20-16/h5-7,9,14,18H,2-4,8H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol has a molecular weight of 353.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is sourced from PubChem (CID 115801375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).