1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol

C10H12Br2OS — CID 155929528

IUPAC1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol
SMILESOC1(c2cc(Br)c(Br)s2)CCCCC1
InChIInChI=1S/C10H12Br2OS/c11-7-6-8(14-9(7)12)10(13)4-2-1-3-5-10/h6,13H,1-5H2
InChIKeyDCNRAZCDDRUDMB-UHFFFAOYSA-N
MW340.08 g/mol
LogP4.42
Rot. Bonds1

About 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol

1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol (PubChem CID 155929528) has the molecular formula C10H12Br2OS and a molecular weight of 340.08 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol
PubChem CID155929528
Molecular FormulaC10H12Br2OS
Molecular Weight340.08 g/mol
Exact Mass337.90
IUPAC Name1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol
SMILESOC1(c2cc(Br)c(Br)s2)CCCCC1
InChIInChI=1S/C10H12Br2OS/c11-7-6-8(14-9(7)12)10(13)4-2-1-3-5-10/h6,13H,1-5H2
InChIKeyDCNRAZCDDRUDMB-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol (CID 155929528) is 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol is OC1(c2cc(Br)c(Br)s2)CCCCC1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol?
The InChIKey is DCNRAZCDDRUDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2OS/c11-7-6-8(14-9(7)12)10(13)4-2-1-3-5-10/h6,13H,1-5H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol?
1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol has a molecular weight of 340.08 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 155929528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).