1-(furan-2-yl)-3-iodobut-3-en-1-ol

C8H9IO2 — CID 24890408

IUPAC1-(furan-2-yl)-3-iodobut-3-en-1-ol
SMILESC=C(I)CC(O)c1ccco1
InChIInChI=1S/C8H9IO2/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,7,10H,1,5H2
InChIKeyOBBGRLOYIRBDCN-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.65
Rot. Bonds3

About 1-(furan-2-yl)-3-iodobut-3-en-1-ol

1-(furan-2-yl)-3-iodobut-3-en-1-ol (PubChem CID 24890408) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-iodobut-3-en-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-3-iodobut-3-en-1-ol
PubChem CID24890408
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name1-(furan-2-yl)-3-iodobut-3-en-1-ol
SMILESC=C(I)CC(O)c1ccco1
InChIInChI=1S/C8H9IO2/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,7,10H,1,5H2
InChIKeyOBBGRLOYIRBDCN-UHFFFAOYSA-N
XLogP2.65
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319
(1R)-3-chloro-1-(furan-2-yl)propan-1-ol
CID 67216727
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937
3-(furan-2-yl)-3-hydroxy-N-phenylpropanamide
CID 78165450
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
4-[diethyl(methyl)silyl]-1-(furan-2-yl)butan-1-ol
CID 165347785

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-iodobut-3-en-1-ol?
The IUPAC name of 1-(furan-2-yl)-3-iodobut-3-en-1-ol (CID 24890408) is 1-(furan-2-yl)-3-iodobut-3-en-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-3-iodobut-3-en-1-ol?
The canonical SMILES for 1-(furan-2-yl)-3-iodobut-3-en-1-ol is C=C(I)CC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-iodobut-3-en-1-ol?
The InChIKey is OBBGRLOYIRBDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4,7,10H,1,5H2.
What are the key properties of 1-(furan-2-yl)-3-iodobut-3-en-1-ol?
1-(furan-2-yl)-3-iodobut-3-en-1-ol has a molecular weight of 264.06 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-iodobut-3-en-1-ol is sourced from PubChem (CID 24890408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).