2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol

C10H12Br2OS — CID 13177184

IUPAC2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol
SMILESOC1CCCCC1c1sc(Br)cc1Br
InChIInChI=1S/C10H12Br2OS/c11-7-5-9(12)14-10(7)6-3-1-2-4-8(6)13/h5-6,8,13H,1-4H2
InChIKeyZAFCPQIXEPDCAE-UHFFFAOYSA-N
MW340.08 g/mol
LogP4.29
Rot. Bonds1

About 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol

2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol (PubChem CID 13177184) has the molecular formula C10H12Br2OS and a molecular weight of 340.08 g/mol. Its IUPAC name is 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol
PubChem CID13177184
Molecular FormulaC10H12Br2OS
Molecular Weight340.08 g/mol
Exact Mass337.90
IUPAC Name2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol
SMILESOC1CCCCC1c1sc(Br)cc1Br
InChIInChI=1S/C10H12Br2OS/c11-7-5-9(12)14-10(7)6-3-1-2-4-8(6)13/h5-6,8,13H,1-4H2
InChIKeyZAFCPQIXEPDCAE-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.08
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol (CID 13177184) is 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol is OC1CCCCC1c1sc(Br)cc1Br.
What is the InChIKey of 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol?
The InChIKey is ZAFCPQIXEPDCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2OS/c11-7-5-9(12)14-10(7)6-3-1-2-4-8(6)13/h5-6,8,13H,1-4H2.
What are the key properties of 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol?
2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol has a molecular weight of 340.08 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromothiophen-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 13177184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).