Hydroxyfimbrolide

C9H10Br2O3 — CID 9996453

IUPAC(5E)-4-bromo-5-(bromomethylidene)-3-[(1R)-1-hydroxybutyl]furan-2-one
SMILESCCC[C@H](C1=C(/C(=C\Br)/OC1=O)Br)O
InChIInChI=1S/C9H10Br2O3/c1-2-3-5(12)7-8(11)6(4-10)14-9(7)13/h4-5,12H,2-3H2,1H3/b6-4+/t5-/m1/s1
InChIKeyGWLDADMCKOCKLF-YWSOBTQUSA-N
MW325.98 g/mol
LogP2.60
Rot. Bonds3

About Hydroxyfimbrolide

Hydroxyfimbrolide (PubChem CID 9996453) has the molecular formula C9H10Br2O3 and a molecular weight of 325.98 g/mol. Its IUPAC name is (5E)-4-bromo-5-(bromomethylidene)-3-[(1R)-1-hydroxybutyl]furan-2-one.

Molecular Properties

Compound NameHydroxyfimbrolide
PubChem CID9996453
Molecular FormulaC9H10Br2O3
Molecular Weight325.98 g/mol
Exact Mass325.90
IUPAC Name(5E)-4-bromo-5-(bromomethylidene)-3-[(1R)-1-hydroxybutyl]furan-2-one
SMILESCCC[C@H](C1=C(/C(=C\Br)/OC1=O)Br)O
InChIInChI=1S/C9H10Br2O3/c1-2-3-5(12)7-8(11)6(4-10)14-9(7)13/h4-5,12H,2-3H2,1H3/b6-4+/t5-/m1/s1
InChIKeyGWLDADMCKOCKLF-YWSOBTQUSA-N
XLogP2.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity307

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Hydroxyfimbrolide?
The IUPAC name of Hydroxyfimbrolide (CID 9996453) is (5E)-4-bromo-5-(bromomethylidene)-3-[(1R)-1-hydroxybutyl]furan-2-one.
What is the SMILES notation for Hydroxyfimbrolide?
The canonical SMILES for Hydroxyfimbrolide is CCC[C@H](C1=C(/C(=C\Br)/OC1=O)Br)O.
What is the InChIKey of Hydroxyfimbrolide?
The InChIKey is GWLDADMCKOCKLF-YWSOBTQUSA-N. The full InChI is InChI=1S/C9H10Br2O3/c1-2-3-5(12)7-8(11)6(4-10)14-9(7)13/h4-5,12H,2-3H2,1H3/b6-4+/t5-/m1/s1.
What are the key properties of Hydroxyfimbrolide?
Hydroxyfimbrolide has a molecular weight of 325.98 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Hydroxyfimbrolide is sourced from PubChem (CID 9996453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).