1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol

C13H11IO2 — CID 57298844

IUPAC1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol
SMILESCC(O)=c1occc1=Cc1ccc(I)cc1
InChIInChI=1S/C13H11IO2/c1-9(15)13-11(6-7-16-13)8-10-2-4-12(14)5-3-10/h2-8,15H,1H3
InChIKeyIQCPSDUPHLVRTM-UHFFFAOYSA-N
MW326.13 g/mol
LogP2.40
Rot. Bonds1

About 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol

1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol (PubChem CID 57298844) has the molecular formula C13H11IO2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol.

Molecular Properties

Compound Name1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol
PubChem CID57298844
Molecular FormulaC13H11IO2
Molecular Weight326.13 g/mol
Exact Mass325.98
IUPAC Name1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol
SMILESCC(O)=c1occc1=Cc1ccc(I)cc1
InChIInChI=1S/C13H11IO2/c1-9(15)13-11(6-7-16-13)8-10-2-4-12(14)5-3-10/h2-8,15H,1H3
InChIKeyIQCPSDUPHLVRTM-UHFFFAOYSA-N
XLogP2.40
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.40
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-[3-[(4-bromophenyl)methylidene]furan-2-ylidene]ethanol
CID 57294314
(Z)-[(2Z)-2-(3-methylbutan-2-ylidene)furan-3-ylidene]methanamine
CID 122429441
(E)-3-(4-iodophenyl)-2-methylprop-2-enoic acid
CID 6312944
3-(4-iodophenyl)-2-methylprop-2-enamide
CID 70292207
4-benzylidene-5-(1-hydroxyethylidene)furan-3-carbonitrile
CID 57181534
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
(4Z)-4-[(4-iodophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 19663963
1-[(E)-2-bromoethenyl]-4-iodobenzene
CID 45358242
iodobenzene;propan-2-one
CID 159413459
1-iodo-4-[(E)-2-iodoethenyl]benzene
CID 89017176
(E)-3-(4-iodophenyl)but-2-enoic acid
CID 131527312
(3Z)-2-methylidene-3-(2-methylprop-2-enylidene)furan
CID 145430189

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol?
The IUPAC name of 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol (CID 57298844) is 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol.
What is the SMILES notation for 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol?
The canonical SMILES for 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol is CC(O)=c1occc1=Cc1ccc(I)cc1.
What is the InChIKey of 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol?
The InChIKey is IQCPSDUPHLVRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2/c1-9(15)13-11(6-7-16-13)8-10-2-4-12(14)5-3-10/h2-8,15H,1H3.
What are the key properties of 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol?
1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol has a molecular weight of 326.13 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-iodophenyl)methylidene]furan-2-ylidene]ethanol is sourced from PubChem (CID 57298844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).