[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol

C9H11BrOS — CID 81357469

IUPAC[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol
SMILESCC1(c2ccc(Br)s2)CC1CO
InChIInChI=1S/C9H11BrOS/c1-9(4-6(9)5-11)7-2-3-8(10)12-7/h2-3,6,11H,4-5H2,1H3
InChIKeyLUYSTMYFMYFRPS-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.78
Rot. Bonds2

About [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol

[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol (PubChem CID 81357469) has the molecular formula C9H11BrOS and a molecular weight of 247.16 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol
PubChem CID81357469
Molecular FormulaC9H11BrOS
Molecular Weight247.16 g/mol
Exact Mass245.97
IUPAC Name[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol
SMILESCC1(c2ccc(Br)s2)CC1CO
InChIInChI=1S/C9H11BrOS/c1-9(4-6(9)5-11)7-2-3-8(10)12-7/h2-3,6,11H,4-5H2,1H3
InChIKeyLUYSTMYFMYFRPS-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol?
The IUPAC name of [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol (CID 81357469) is [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol is CC1(c2ccc(Br)s2)CC1CO.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol?
The InChIKey is LUYSTMYFMYFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrOS/c1-9(4-6(9)5-11)7-2-3-8(10)12-7/h2-3,6,11H,4-5H2,1H3.
What are the key properties of [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol?
[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol has a molecular weight of 247.16 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol is sourced from PubChem (CID 81357469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).