2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid

C11H13BrO3 — CID 82625953

IUPAC2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(C2CCCC2)o1
InChIInChI=1S/C11H13BrO3/c12-9-5-8(6-10(13)14)15-11(9)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,13,14)
InChIKeyLZPGSKIBVSSLGT-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid

2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid (PubChem CID 82625953) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid
PubChem CID82625953
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(C2CCCC2)o1
InChIInChI=1S/C11H13BrO3/c12-9-5-8(6-10(13)14)15-11(9)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,13,14)
InChIKeyLZPGSKIBVSSLGT-UHFFFAOYSA-N
XLogP3.33
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid?
The IUPAC name of 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid (CID 82625953) is 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid is O=C(O)Cc1cc(Br)c(C2CCCC2)o1.
What is the InChIKey of 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid?
The InChIKey is LZPGSKIBVSSLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c12-9-5-8(6-10(13)14)15-11(9)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,13,14).
What are the key properties of 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid?
2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid has a molecular weight of 273.13 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid is sourced from PubChem (CID 82625953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).