1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol

C12H19BrOS — CID 82987065

IUPAC1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1sccc1Br
InChIInChI=1S/C12H19BrOS/c1-3-5-9(6-4-2)11(14)12-10(13)7-8-15-12/h7-9,11,14H,3-6H2,1-2H3
InChIKeyVJMSNGXWMBVFPS-UHFFFAOYSA-N
MW291.25 g/mol
LogP4.76
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol

1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol (PubChem CID 82987065) has the molecular formula C12H19BrOS and a molecular weight of 291.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
PubChem CID82987065
Molecular FormulaC12H19BrOS
Molecular Weight291.25 g/mol
Exact Mass290.03
IUPAC Name1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1sccc1Br
InChIInChI=1S/C12H19BrOS/c1-3-5-9(6-4-2)11(14)12-10(13)7-8-15-12/h7-9,11,14H,3-6H2,1-2H3
InChIKeyVJMSNGXWMBVFPS-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)pentane-1,2-diol
CID 103454860
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654
2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol
CID 79975322
1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol
CID 105119347
2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol
CID 81128612
1-(3-bromothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119402
1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
CID 103459382
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol
CID 115820137
3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187627

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol (CID 82987065) is 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol is CCCC(CCC)C(O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol?
The InChIKey is VJMSNGXWMBVFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrOS/c1-3-5-9(6-4-2)11(14)12-10(13)7-8-15-12/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol?
1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol has a molecular weight of 291.25 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol is sourced from PubChem (CID 82987065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).