4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one

C14H13IO2 — CID 105103087

IUPAC4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one
SMILESO=C(CCc1ccco1)Cc1ccc(I)cc1
InChIInChI=1S/C14H13IO2/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9H,7-8,10H2
InChIKeyNPEOTIJIZFRMRI-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.63
Rot. Bonds5

About 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one

4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one (PubChem CID 105103087) has the molecular formula C14H13IO2 and a molecular weight of 340.16 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one
PubChem CID105103087
Molecular FormulaC14H13IO2
Molecular Weight340.16 g/mol
Exact Mass340.00
IUPAC Name4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one
SMILESO=C(CCc1ccco1)Cc1ccc(I)cc1
InChIInChI=1S/C14H13IO2/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9H,7-8,10H2
InChIKeyNPEOTIJIZFRMRI-UHFFFAOYSA-N
XLogP3.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one
CID 61053856
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-(furan-2-yl)hept-6-yn-3-one
CID 105100759
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
4-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)butan-2-one
CID 105085257
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one?
The IUPAC name of 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one (CID 105103087) is 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one.
What is the SMILES notation for 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one?
The canonical SMILES for 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one is O=C(CCc1ccco1)Cc1ccc(I)cc1.
What is the InChIKey of 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one?
The InChIKey is NPEOTIJIZFRMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO2/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9H,7-8,10H2.
What are the key properties of 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one?
4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one has a molecular weight of 340.16 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one is sourced from PubChem (CID 105103087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).