7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol

C12H15BrOS — CID 115820159

IUPAC7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol
SMILESOC(c1cscc1Br)C1C2CCCCC21
InChIInChI=1S/C12H15BrOS/c13-10-6-15-5-9(10)12(14)11-7-3-1-2-4-8(7)11/h5-8,11-12,14H,1-4H2
InChIKeyRKMFKYFPEXUIMQ-UHFFFAOYSA-N
MW287.22 g/mol
LogP3.98
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol

7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol (PubChem CID 115820159) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol
PubChem CID115820159
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol
SMILESOC(c1cscc1Br)C1C2CCCCC21
InChIInChI=1S/C12H15BrOS/c13-10-6-15-5-9(10)12(14)11-7-3-1-2-4-8(7)11/h5-8,11-12,14H,1-4H2
InChIKeyRKMFKYFPEXUIMQ-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol with MolForge

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Related Compounds

(4-bromothiophen-3-yl)-cyclohexylmethanol
CID 79596363
(4-bromothiophen-3-yl)-cyclopropylmethanol
CID 79596364
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol
CID 115820008
1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol
CID 103459201
(4-bromothiophen-3-yl)-(1,4-dioxan-2-yl)methanol
CID 115278605
(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 79962907
6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol
CID 115806982
1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79594978
1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol
CID 79596578
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79595083
2-(4-bromothiophen-3-yl)cyclohexan-1-ol
CID 79602287

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol (CID 115820159) is 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol is OC(c1cscc1Br)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol?
The InChIKey is RKMFKYFPEXUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrOS/c13-10-6-15-5-9(10)12(14)11-7-3-1-2-4-8(7)11/h5-8,11-12,14H,1-4H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol?
7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol has a molecular weight of 287.22 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol is sourced from PubChem (CID 115820159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).