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

C11H17BrOS — CID 65149568

IUPAC1-(3-bromothiophen-2-yl)heptan-2-ol
SMILESCCCCCC(O)Cc1sccc1Br
InChIInChI=1S/C11H17BrOS/c1-2-3-4-5-9(13)8-11-10(12)6-7-14-11/h6-7,9,13H,2-5,8H2,1H3
InChIKeyXLFLKHSEXOCKMU-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.99
Rot. Bonds6

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

1-(3-bromothiophen-2-yl)heptan-2-ol (PubChem CID 65149568) has the molecular formula C11H17BrOS and a molecular weight of 277.23 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)heptan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)heptan-2-ol
PubChem CID65149568
Molecular FormulaC11H17BrOS
Molecular Weight277.23 g/mol
Exact Mass276.02
IUPAC Name1-(3-bromothiophen-2-yl)heptan-2-ol
SMILESCCCCCC(O)Cc1sccc1Br
InChIInChI=1S/C11H17BrOS/c1-2-3-4-5-9(13)8-11-10(12)6-7-14-11/h6-7,9,13H,2-5,8H2,1H3
InChIKeyXLFLKHSEXOCKMU-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromothiophen-2-yl)undecan-2-ylhydrazine
CID 105299478
1-(3-bromothiophen-2-yl)decan-2-ylhydrazine
CID 105299600
1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
CID 105090894
1-(3-bromothiophen-2-yl)-4-phenylbutan-2-ol
CID 62606159
2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine
CID 62529321
5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
1-(4-bromothiophen-2-yl)undecan-2-ol
CID 115790163
1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 55095376
1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
CID 65150014
1-(3-bromothiophen-2-yl)-3-hydroxyhexan-2-one
CID 103453721
1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
CID 115790916
1-(3-bromothiophen-2-yl)-N-ethyl-3-propylhexan-2-amine
CID 115849149

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)heptan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)heptan-2-ol (CID 65149568) is 1-(3-bromothiophen-2-yl)heptan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)heptan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)heptan-2-ol is CCCCCC(O)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)heptan-2-ol?
The InChIKey is XLFLKHSEXOCKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrOS/c1-2-3-4-5-9(13)8-11-10(12)6-7-14-11/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)heptan-2-ol?
1-(3-bromothiophen-2-yl)heptan-2-ol has a molecular weight of 277.23 g/mol, XLogP of 3.99, 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)heptan-2-ol is sourced from PubChem (CID 65149568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).