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

C9H10Br2OS — CID 11771741

IUPAC1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol
SMILESOC1(c2sc(Br)cc2Br)CCCC1
InChIInChI=1S/C9H10Br2OS/c10-6-5-7(11)13-8(6)9(12)3-1-2-4-9/h5,12H,1-4H2
InChIKeyHWXIIVDJHZFAJS-UHFFFAOYSA-N
MW326.05 g/mol
LogP4.03
Rot. Bonds1

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

1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol (PubChem CID 11771741) has the molecular formula C9H10Br2OS and a molecular weight of 326.05 g/mol. Its IUPAC name is 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol
PubChem CID11771741
Molecular FormulaC9H10Br2OS
Molecular Weight326.05 g/mol
Exact Mass323.88
IUPAC Name1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol
SMILESOC1(c2sc(Br)cc2Br)CCCC1
InChIInChI=1S/C9H10Br2OS/c10-6-5-7(11)13-8(6)9(12)3-1-2-4-9/h5,12H,1-4H2
InChIKeyHWXIIVDJHZFAJS-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.05
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol?
The IUPAC name of 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol (CID 11771741) is 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol is OC1(c2sc(Br)cc2Br)CCCC1.
What is the InChIKey of 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol?
The InChIKey is HWXIIVDJHZFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2OS/c10-6-5-7(11)13-8(6)9(12)3-1-2-4-9/h5,12H,1-4H2.
What are the key properties of 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol?
1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol has a molecular weight of 326.05 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromothiophen-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 11771741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).