1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol

C9H11BrOS — CID 79996418

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol
SMILESCc1cc(C2(O)CC2C)sc1Br
InChIInChI=1S/C9H11BrOS/c1-5-3-7(12-8(5)10)9(11)4-6(9)2/h3,6,11H,4H2,1-2H3
InChIKeyZSEQKBWONUWMPH-UHFFFAOYSA-N
MW247.16 g/mol
LogP3.05
Rot. Bonds1

About 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol

1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol (PubChem CID 79996418) has the molecular formula C9H11BrOS and a molecular weight of 247.16 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol
PubChem CID79996418
Molecular FormulaC9H11BrOS
Molecular Weight247.16 g/mol
Exact Mass245.97
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol
SMILESCc1cc(C2(O)CC2C)sc1Br
InChIInChI=1S/C9H11BrOS/c1-5-3-7(12-8(5)10)9(11)4-6(9)2/h3,6,11H,4H2,1-2H3
InChIKeyZSEQKBWONUWMPH-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol (CID 79996418) is 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol is Cc1cc(C2(O)CC2C)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol?
The InChIKey is ZSEQKBWONUWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrOS/c1-5-3-7(12-8(5)10)9(11)4-6(9)2/h3,6,11H,4H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol?
1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol has a molecular weight of 247.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-methylcyclopropan-1-ol is sourced from PubChem (CID 79996418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).