6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid

C10H13BrO3S — CID 61101885

IUPAC6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid
SMILESO=C(O)CCCCC(O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrO3S/c11-9-6-5-8(15-9)7(12)3-1-2-4-10(13)14/h5-7,12H,1-4H2,(H,13,14)
InChIKeyVVEIZWAQYUHGFO-UHFFFAOYSA-N
MW293.18 g/mol
LogP3.19
Rot. Bonds6

About 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid

6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid (PubChem CID 61101885) has the molecular formula C10H13BrO3S and a molecular weight of 293.18 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid
PubChem CID61101885
Molecular FormulaC10H13BrO3S
Molecular Weight293.18 g/mol
Exact Mass291.98
IUPAC Name6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid
SMILESO=C(O)CCCCC(O)c1ccc(Br)s1
InChIInChI=1S/C10H13BrO3S/c11-9-6-5-8(15-9)7(12)3-1-2-4-10(13)14/h5-7,12H,1-4H2,(H,13,14)
InChIKeyVVEIZWAQYUHGFO-UHFFFAOYSA-N
XLogP3.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid?
The IUPAC name of 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid (CID 61101885) is 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid is O=C(O)CCCCC(O)c1ccc(Br)s1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid?
The InChIKey is VVEIZWAQYUHGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3S/c11-9-6-5-8(15-9)7(12)3-1-2-4-10(13)14/h5-7,12H,1-4H2,(H,13,14).
What are the key properties of 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid?
6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid has a molecular weight of 293.18 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid is sourced from PubChem (CID 61101885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).