1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol

C10H13BrOS — CID 79596691

IUPAC1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)c1cscc1Br
InChIInChI=1S/C10H13BrOS/c1-7-3-2-4-10(7,12)8-5-13-6-9(8)11/h5-7,12H,2-4H2,1H3
InChIKeyFGYNVNHNTZVEMS-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.52
Rot. Bonds1

About 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol

1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol (PubChem CID 79596691) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol
PubChem CID79596691
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)c1cscc1Br
InChIInChI=1S/C10H13BrOS/c1-7-3-2-4-10(7,12)8-5-13-6-9(8)11/h5-7,12H,2-4H2,1H3
InChIKeyFGYNVNHNTZVEMS-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol (CID 79596691) is 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol is CC1CCCC1(O)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol?
The InChIKey is FGYNVNHNTZVEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c1-7-3-2-4-10(7,12)8-5-13-6-9(8)11/h5-7,12H,2-4H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol?
1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol has a molecular weight of 261.18 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 79596691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).