1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid

C14H17BrO2S — CID 67484486

IUPAC1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Br)s2)CC1C1CCCCC1
InChIInChI=1S/C14H17BrO2S/c15-12-7-6-11(18-12)14(13(16)17)8-10(14)9-4-2-1-3-5-9/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyAONHLNARKGEFBT-UHFFFAOYSA-N
MW329.26 g/mol
LogP4.43
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid

1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid (PubChem CID 67484486) has the molecular formula C14H17BrO2S and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid
PubChem CID67484486
Molecular FormulaC14H17BrO2S
Molecular Weight329.26 g/mol
Exact Mass328.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Br)s2)CC1C1CCCCC1
InChIInChI=1S/C14H17BrO2S/c15-12-7-6-11(18-12)14(13(16)17)8-10(14)9-4-2-1-3-5-9/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyAONHLNARKGEFBT-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid (CID 67484486) is 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(Br)s2)CC1C1CCCCC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid?
The InChIKey is AONHLNARKGEFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2S/c15-12-7-6-11(18-12)14(13(16)17)8-10(14)9-4-2-1-3-5-9/h6-7,9-10H,1-5,8H2,(H,16,17).
What are the key properties of 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid?
1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid has a molecular weight of 329.26 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-cyclohexylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 67484486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).