2-[(4-bromothiophen-2-yl)methyl]butan-1-ol

C9H13BrOS — CID 66059833

IUPAC2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
SMILESCCC(CO)Cc1cc(Br)cs1
InChIInChI=1S/C9H13BrOS/c1-2-7(5-11)3-9-4-8(10)6-12-9/h4,6-7,11H,2-3,5H2,1H3
InChIKeyAITFFUDXTMIDPI-UHFFFAOYSA-N
MW249.17 g/mol
LogP3.07
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol

2-[(4-bromothiophen-2-yl)methyl]butan-1-ol (PubChem CID 66059833) has the molecular formula C9H13BrOS and a molecular weight of 249.17 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
PubChem CID66059833
Molecular FormulaC9H13BrOS
Molecular Weight249.17 g/mol
Exact Mass247.99
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
SMILESCCC(CO)Cc1cc(Br)cs1
InChIInChI=1S/C9H13BrOS/c1-2-7(5-11)3-9-4-8(10)6-12-9/h4,6-7,11H,2-3,5H2,1H3
InChIKeyAITFFUDXTMIDPI-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl]-4-methylpentan-1-ol
CID 66059169
2-[(4-bromothiophen-2-yl)methyl]butan-1-amine
CID 62503815
2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66057797
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66037859
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
2-[(4-bromothiophen-2-yl)methylamino]butan-1-ol;hydrochloride
CID 132893007
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
methyl 2-[(4-bromothiophen-2-yl)methyl]butanoate
CID 116931314
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484
1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-ol
CID 65130914
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393514

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol (CID 66059833) is 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol is CCC(CO)Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol?
The InChIKey is AITFFUDXTMIDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS/c1-2-7(5-11)3-9-4-8(10)6-12-9/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol?
2-[(4-bromothiophen-2-yl)methyl]butan-1-ol has a molecular weight of 249.17 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl]butan-1-ol is sourced from PubChem (CID 66059833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).