7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol

C12H15BrOS — CID 79996596

IUPAC7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1cc(C2(O)C3CCCCC32)sc1Br
InChIInChI=1S/C12H15BrOS/c1-7-6-10(15-11(7)13)12(14)8-4-2-3-5-9(8)12/h6,8-9,14H,2-5H2,1H3
InChIKeySLGRBIVKSQMPCX-UHFFFAOYSA-N
MW287.22 g/mol
LogP3.83
Rot. Bonds1

About 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol

7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79996596) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79996596
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1cc(C2(O)C3CCCCC32)sc1Br
InChIInChI=1S/C12H15BrOS/c1-7-6-10(15-11(7)13)12(14)8-4-2-3-5-9(8)12/h6,8-9,14H,2-5H2,1H3
InChIKeySLGRBIVKSQMPCX-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Bromophenyl)-cyclopropyl-thiophen-2-ylmethanol
CID 285502
1-(3-Bromo-5-methyl-2-thienyl)cyclohexanol
CID 641983
1-(5-Bromo-2-fluorophenyl)-1-thiophen-2-ylethanol
CID 79743338
(5-Bromothiophen-2-yl)(phenyl)methanol
CID 10221043
(4,5-Dibromothiophen-2-yl)-phenylmethanol
CID 13419058
(3,5-Dibromothiophen-2-yl)-phenylmethanol
CID 49962590
(2,5-Dibromothiophen-3-yl)-phenylmethanol
CID 61083198
1-(5-Bromothiophen-2-yl)-2-ethylhexan-1-ol
CID 63427074
2-(5-Bromothiophen-2-yl)pent-4-en-2-ol
CID 135009789
1-(4,5-Dibromothiophen-2-yl)cyclohexan-1-ol
CID 155929528
(2S)-2-(5-bromothiophen-2-yl)pent-4-en-2-ol
CID 166436777
1-(3-Bromo-4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220726

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol (CID 79996596) is 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol is Cc1cc(C2(O)C3CCCCC32)sc1Br.
What is the InChIKey of 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is SLGRBIVKSQMPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrOS/c1-7-6-10(15-11(7)13)12(14)8-4-2-3-5-9(8)12/h6,8-9,14H,2-5H2,1H3.
What are the key properties of 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol?
7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 287.22 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-4-methylthiophen-2-yl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79996596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).