5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one

C9H10Br2O3 — CID 22056481

IUPAC5-(dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one
SMILESCCCC(C1=CC(=C(Br)Br)OC1=O)O
InChIInChI=1S/C9H10Br2O3/c1-2-3-6(12)5-4-7(8(10)11)14-9(5)13/h4,6,12H,2-3H2,1H3
InChIKeyYMAVLBHIYVTHMX-UHFFFAOYSA-N
MW325.98 g/mol
LogP3.10
Rot. Bonds3

About 5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one

5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one (PubChem CID 22056481) has the molecular formula C9H10Br2O3 and a molecular weight of 325.98 g/mol. Its IUPAC name is 5-(dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one.

Molecular Properties

Compound Name5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one
PubChem CID22056481
Molecular FormulaC9H10Br2O3
Molecular Weight325.98 g/mol
Exact Mass325.90
IUPAC Name5-(dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one
SMILESCCCC(C1=CC(=C(Br)Br)OC1=O)O
InChIInChI=1S/C9H10Br2O3/c1-2-3-6(12)5-4-7(8(10)11)14-9(5)13/h4,6,12H,2-3H2,1H3
InChIKeyYMAVLBHIYVTHMX-UHFFFAOYSA-N
XLogP3.10
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity303

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-((1R)-1-Hydroxybutyl)-4-bromo-5-(bromomethylene)furan-2-one
CID 6475696
1-[5-(Dibromomethylidene)-2-oxofuran-3-yl]butyl nitrate
CID 72792678
Hydroxyfimbrolide
CID 9996453
4-bromo-5-(dibromomethylidene)-3-[(1R)-1-hydroxybutyl]furan-2-one
CID 21729106
(5Z)-4-bromo-3-[(1R)-1-hydroxybutyl]-5-(iodomethylidene)furan-2-one
CID 21729107
(5Z)-4-bromo-5-(chloromethylidene)-3-[(1R)-1-hydroxybutyl]furan-2-one
CID 44583901
Methyl 5-hydroxycyclopent-1-ene-1-carboxylate
CID 11607928
(5E)-4-bromo-3-[(1R)-1-hydroxybutyl]-5-(iodomethylidene)furan-2-one
CID 44583891
(5E)-4-bromo-5-(chloromethylidene)-3-[(1R)-1-hydroxybutyl]furan-2-one
CID 44583902
4-bromo-5-(bromomethylidene)-3-[(1R)-1-hydroxybutyl]furan-2-one
CID 479938
3-(1-Hydroxyhexyl)-5-methylidenefuran-2-one
CID 76336539
1-[5-(Dibromomethylidene)-2-oxofuran-3-yl]butyl 3-nitrooxypropanoate
CID 72792751

Frequently Asked Questions

What is the IUPAC name of 5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one?
The IUPAC name of 5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one (CID 22056481) is 5-(dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one.
What is the SMILES notation for 5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one?
The canonical SMILES for 5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one is CCCC(C1=CC(=C(Br)Br)OC1=O)O.
What is the InChIKey of 5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one?
The InChIKey is YMAVLBHIYVTHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O3/c1-2-3-6(12)5-4-7(8(10)11)14-9(5)13/h4,6,12H,2-3H2,1H3.
What are the key properties of 5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one?
5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one has a molecular weight of 325.98 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(Dibromomethylidene)-3-(1-hydroxybutyl)furan-2-one is sourced from PubChem (CID 22056481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).