1-(4-bromothiophen-2-yl)cyclohexan-1-ol

C10H13BrOS — CID 58591311

IUPAC1-(4-bromothiophen-2-yl)cyclohexan-1-ol
SMILESOC1(c2cc(Br)cs2)CCCCC1
InChIInChI=1S/C10H13BrOS/c11-8-6-9(13-7-8)10(12)4-2-1-3-5-10/h6-7,12H,1-5H2
InChIKeyBJXVOCLDYZUDCX-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.66
Rot. Bonds1

About 1-(4-bromothiophen-2-yl)cyclohexan-1-ol

1-(4-bromothiophen-2-yl)cyclohexan-1-ol (PubChem CID 58591311) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)cyclohexan-1-ol
PubChem CID58591311
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name1-(4-bromothiophen-2-yl)cyclohexan-1-ol
SMILESOC1(c2cc(Br)cs2)CCCCC1
InChIInChI=1S/C10H13BrOS/c11-8-6-9(13-7-8)10(12)4-2-1-3-5-10/h6-7,12H,1-5H2
InChIKeyBJXVOCLDYZUDCX-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)cyclohexan-1-ol (CID 58591311) is 1-(4-bromothiophen-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)cyclohexan-1-ol is OC1(c2cc(Br)cs2)CCCCC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)cyclohexan-1-ol?
The InChIKey is BJXVOCLDYZUDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c11-8-6-9(13-7-8)10(12)4-2-1-3-5-10/h6-7,12H,1-5H2.
What are the key properties of 1-(4-bromothiophen-2-yl)cyclohexan-1-ol?
1-(4-bromothiophen-2-yl)cyclohexan-1-ol has a molecular weight of 261.18 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 58591311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).