(4-bromothiophen-3-yl)-cyclopropylmethanol

C8H9BrOS — CID 79596364

IUPAC(4-bromothiophen-3-yl)-cyclopropylmethanol
SMILESOC(c1cscc1Br)C1CC1
InChIInChI=1S/C8H9BrOS/c9-7-4-11-3-6(7)8(10)5-1-2-5/h3-5,8,10H,1-2H2
InChIKeyWNUCYYHHVAUAHC-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.95
Rot. Bonds2

About (4-bromothiophen-3-yl)-cyclopropylmethanol

(4-bromothiophen-3-yl)-cyclopropylmethanol (PubChem CID 79596364) has the molecular formula C8H9BrOS and a molecular weight of 233.13 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-cyclopropylmethanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-cyclopropylmethanol
PubChem CID79596364
Molecular FormulaC8H9BrOS
Molecular Weight233.13 g/mol
Exact Mass231.96
IUPAC Name(4-bromothiophen-3-yl)-cyclopropylmethanol
SMILESOC(c1cscc1Br)C1CC1
InChIInChI=1S/C8H9BrOS/c9-7-4-11-3-6(7)8(10)5-1-2-5/h3-5,8,10H,1-2H2
InChIKeyWNUCYYHHVAUAHC-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-3-yl)-cyclohexylmethanol
CID 79596363
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol
CID 115820008
7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol
CID 115820159
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
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol
CID 79596578
1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105010609
1-(4-bromothiophen-3-yl)-2-phenylethanol
CID 79596144
(2-bromo-5-methylphenyl)-cyclopropylmethanol
CID 115810293
1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 79602849

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-cyclopropylmethanol?
The IUPAC name of (4-bromothiophen-3-yl)-cyclopropylmethanol (CID 79596364) is (4-bromothiophen-3-yl)-cyclopropylmethanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-cyclopropylmethanol?
The canonical SMILES for (4-bromothiophen-3-yl)-cyclopropylmethanol is OC(c1cscc1Br)C1CC1.
What is the InChIKey of (4-bromothiophen-3-yl)-cyclopropylmethanol?
The InChIKey is WNUCYYHHVAUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrOS/c9-7-4-11-3-6(7)8(10)5-1-2-5/h3-5,8,10H,1-2H2.
What are the key properties of (4-bromothiophen-3-yl)-cyclopropylmethanol?
(4-bromothiophen-3-yl)-cyclopropylmethanol has a molecular weight of 233.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-cyclopropylmethanol is sourced from PubChem (CID 79596364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).