1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol

C12H19BrOS — CID 115820137

IUPAC1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1cscc1Br
InChIInChI=1S/C12H19BrOS/c1-3-5-9(6-4-2)12(14)10-7-15-8-11(10)13/h7-9,12,14H,3-6H2,1-2H3
InChIKeyMKCODONICXHXHK-UHFFFAOYSA-N
MW291.25 g/mol
LogP4.76
Rot. Bonds6

About 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol

1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol (PubChem CID 115820137) has the molecular formula C12H19BrOS and a molecular weight of 291.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol
PubChem CID115820137
Molecular FormulaC12H19BrOS
Molecular Weight291.25 g/mol
Exact Mass290.03
IUPAC Name1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1cscc1Br
InChIInChI=1S/C12H19BrOS/c1-3-5-9(6-4-2)12(14)10-7-15-8-11(10)13/h7-9,12,14H,3-6H2,1-2H3
InChIKeyMKCODONICXHXHK-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol (CID 115820137) is 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol is CCCC(CCC)C(O)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol?
The InChIKey is MKCODONICXHXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrOS/c1-3-5-9(6-4-2)12(14)10-7-15-8-11(10)13/h7-9,12,14H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol?
1-(4-bromothiophen-3-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-(4-bromothiophen-3-yl)-2-propylpentan-1-ol is sourced from PubChem (CID 115820137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).