5-(3-bromothiophen-2-yl)pentan-2-ol

C9H13BrOS — CID 64516501

IUPAC5-(3-bromothiophen-2-yl)pentan-2-ol
SMILESCC(O)CCCc1sccc1Br
InChIInChI=1S/C9H13BrOS/c1-7(11)3-2-4-9-8(10)5-6-12-9/h5-7,11H,2-4H2,1H3
InChIKeyMLZUACYPOMNBLZ-UHFFFAOYSA-N
MW249.17 g/mol
LogP3.21
Rot. Bonds4

About 5-(3-bromothiophen-2-yl)pentan-2-ol

5-(3-bromothiophen-2-yl)pentan-2-ol (PubChem CID 64516501) has the molecular formula C9H13BrOS and a molecular weight of 249.17 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)pentan-2-ol
PubChem CID64516501
Molecular FormulaC9H13BrOS
Molecular Weight249.17 g/mol
Exact Mass247.99
IUPAC Name5-(3-bromothiophen-2-yl)pentan-2-ol
SMILESCC(O)CCCc1sccc1Br
InChIInChI=1S/C9H13BrOS/c1-7(11)3-2-4-9-8(10)5-6-12-9/h5-7,11H,2-4H2,1H3
InChIKeyMLZUACYPOMNBLZ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
CID 107267901
4-(3-bromothiophen-2-yl)-2-methylbutanal
CID 64665783
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
CID 64500989
6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
CID 80536931
1-(3-bromothiophen-2-yl)heptan-2-ol
CID 65149568
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
CID 62530405
1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
CID 105090894
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80536845
3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene
CID 66035672
1-(3-bromothiophen-2-yl)-3-hydroxyhexan-2-one
CID 103453721
1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol
CID 62606159

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)pentan-2-ol?
The IUPAC name of 5-(3-bromothiophen-2-yl)pentan-2-ol (CID 64516501) is 5-(3-bromothiophen-2-yl)pentan-2-ol.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)pentan-2-ol?
The canonical SMILES for 5-(3-bromothiophen-2-yl)pentan-2-ol is CC(O)CCCc1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)pentan-2-ol?
The InChIKey is MLZUACYPOMNBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS/c1-7(11)3-2-4-9-8(10)5-6-12-9/h5-7,11H,2-4H2,1H3.
What are the key properties of 5-(3-bromothiophen-2-yl)pentan-2-ol?
5-(3-bromothiophen-2-yl)pentan-2-ol has a molecular weight of 249.17 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)pentan-2-ol is sourced from PubChem (CID 64516501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).