1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol

C11H17BrO2S — CID 103028428

IUPAC1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1csc(Br)c1
InChIInChI=1S/C11H17BrO2S/c1-11(2,14-3)5-4-9(13)8-6-10(12)15-7-8/h6-7,9,13H,4-5H2,1-3H3
InChIKeyDWCFIQXHCRYEPG-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.75
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol

1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028428) has the molecular formula C11H17BrO2S and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028428
Molecular FormulaC11H17BrO2S
Molecular Weight293.23 g/mol
Exact Mass292.01
IUPAC Name1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1csc(Br)c1
InChIInChI=1S/C11H17BrO2S/c1-11(2,14-3)5-4-9(13)8-6-10(12)15-7-8/h6-7,9,13H,4-5H2,1-3H3
InChIKeyDWCFIQXHCRYEPG-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 105104586
1-(5-bromothiophen-3-yl)-4-methoxybutan-1-ol
CID 105132747
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
CID 103028415
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394
1-(5-bromothiophen-3-yl)hex-4-yn-1-ol
CID 105126513
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035117
4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103028364
1-(3-chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035286

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol (CID 103028428) is 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is DWCFIQXHCRYEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2S/c1-11(2,14-3)5-4-9(13)8-6-10(12)15-7-8/h6-7,9,13H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol?
1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 293.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).